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4-(4-Benzhydryl-1-piperazinyl)-2-(4-pyridinyl)quinazoline

View entire compound with spectra: 2 NMR

4-(4-Benzhydryl-1-piperazinyl)-2-(4-pyridinyl)quinazoline
SpectraBase Compound ID DhEL8nQqWmo
InChI InChI=1S/C30H27N5/c1-3-9-23(10-4-1)28(24-11-5-2-6-12-24)34-19-21-35(22-20-34)30-26-13-7-8-14-27(26)32-29(33-30)25-15-17-31-18-16-25/h1-18,28H,19-22H2
InChIKey XUBPVHHWYFSOLP-UHFFFAOYSA-N
Mol Weight 457.58 g/mol
Molecular Formula C30H27N5
Exact Mass 457.226646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DG7Qt7zzr5k
Name 4-(4-Benzhydryl-1-piperazinyl)-2-(4-pyridinyl)quinazoline
Comments Computed using HOSE algorithm
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Exact Mass 457.226645889 u
Formula C30H27N5
InChI InChI=1S/C30H27N5/c1-3-9-23(10-4-1)28(24-11-5-2-6-12-24)34-19-21-35(22-20-34)30-26-13-7-8-14-27(26)32-29(33-30)25-15-17-31-18-16-25/h1-18,28H,19-22H2
InChIKey XUBPVHHWYFSOLP-UHFFFAOYSA-N
Molecular Weight 457.581 g/mol
SMILES C=1C=CC(C(N2CCN(C3=NC(=NC4=CC=CC=C34)C=3C=CN=CC3)CC2)C=2C=CC=CC2)=CC1