4-[11-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid

SpectraBase Compound ID	CfWfEKTHLnr
InChI	InChI=1S/C33H34FN3O4/c1-3-36(4-2)25-15-11-22(12-16-25)33-32-27(19-23(20-29(32)38)21-9-13-24(34)14-10-21)35-26-7-5-6-8-28(26)37(33)30(39)17-18-31(40)41/h5-16,23,33,35H,3-4,17-20H2,1-2H3,(H,40,41)
InChIKey	HCSWQYGOKBPNSF-UHFFFAOYSA-N Google Search
Mol Weight	555.7 g/mol
Molecular Formula	C33H34FN3O4
Exact Mass	555.253335 g/mol

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SpectraBase Spectrum ID	4oyMFQDWAdI
Name	4-[11-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Alternate Name(s)	4-[6-[4-(diethylamino)phenyl]-9-(4-fluorophenyl)-7-keto-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-keto-butyric acid 4-[6-[4-(diethylamino)phenyl]-9-(4-fluorophenyl)-7-oxidanylidene-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid 4-[6-[4-(diethylamino)phenyl]-9-(4-fluorophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxo-butanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H34FN3O4
InChI	InChI=1S/C33H34FN3O4/c1-3-36(4-2)25-15-11-22(12-16-25)33-32-27(19-23(20-29(32)38)21-9-13-24(34)14-10-21)35-26-7-5-6-8-28(26)37(33)30(39)17-18-31(40)41/h5-16,23,33,35H,3-4,17-20H2,1-2H3,(H,40,41)
InChIKey	HCSWQYGOKBPNSF-UHFFFAOYSA-N
Molecular Weight	555.650 g/mol
SMILES	N1c2ccccc2N(C(CCC(=O)O)=O)C(C2=C1CC(CC2=O)c1ccc(cc1)F)c1ccc(cc1)N(CC)CC
SPLASH	splash10-053r-5900000000-ba9199dbf9843616b0b4
Wiley ID	1461465