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3-Methyl-2-phenyl-4-[(4-phenyl-1-piperazinyl)carbonyl]quinoline

View entire compound with spectra: 2 NMR

3-Methyl-2-phenyl-4-[(4-phenyl-1-piperazinyl)carbonyl]quinoline
SpectraBase Compound ID 7uq3I8hpInS
InChI InChI=1S/C27H25N3O/c1-20-25(27(31)30-18-16-29(17-19-30)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28-26(20)21-10-4-2-5-11-21/h2-15H,16-19H2,1H3
InChIKey VZXIRMCXSORERQ-UHFFFAOYSA-N
Mol Weight 407.52 g/mol
Molecular Formula C27H25N3O
Exact Mass 407.199762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3q0yUGsR6Rh
Name 3-Methyl-2-phenyl-4-[(4-phenyl-1-piperazinyl)carbonyl]quinoline
Comments Computed using HOSE algorithm
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Exact Mass 407.199762436 u
Formula C27H25N3O
InChI InChI=1S/C27H25N3O/c1-20-25(27(31)30-18-16-29(17-19-30)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28-26(20)21-10-4-2-5-11-21/h2-15H,16-19H2,1H3
InChIKey VZXIRMCXSORERQ-UHFFFAOYSA-N
Molecular Weight 407.517 g/mol
SMILES C=1(C(N2CCN(CC2)C2=CC=CC=C2)=O)C(=C(C2=CC=CC=C2)N=C2C1C=CC=C2)C