4-[[4-(2-oxidanylidene-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-oxidanylidene-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)-1-piperidyl]methyl]benzonitrile CAS Name: 4-[[4-(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-keto-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidino]methyl]benzonitrile Formula: C27H26N4O MolecularWeight: 422.52154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCC1N2C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H26N4O/c28-18-20-10-12-21(13-11-20)19-30-16-14-23(15-17-30)31-26(22-6-2-1-3-7-22)24-8-4-5-9-25(24)29-27(31)32/h1-13,23,26H,14-17,19H2,(H,29,32)