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

Systemtic Name: 3-[[4-(2-oxidanylidene-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]methyl]benzamide hydrochloride Openeye Name: 3-[[4-(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)-1-piperidyl]methyl]benzamide hydrochloride CAS Name: 3-[[4-(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]benzamide hydrochloride IUPAC Name: 3-[[4-(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]methyl]benzamide hydrochloride Traditional Name: 3-[[4-(2-keto-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidino]methyl]benzamide hydrochloride Formula: C27H29ClN4O2 MolecularWeight: 476.99776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O2.ClH/c28-26(32)21-10-6-7-19(17-21)18-30-15-13-22(14-16-30)31-25(20-8-2-1-3-9-20)23-11-4-5-12-24(23)29-27(31)33;/h1-12,17,22,25H,13-16,18H2,(H2,28,32)(H,29,33);1H