7-chloranyl-4-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one hydrochloride

Systemtic Name: 7-chloranyl-4-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one hydrochloride Openeye Name: 3-(1-benzyl-4-piperidyl)-7-chloro-4-phenyl-1,4-dihydroquinazolin-2-one hydrochloride CAS Name: 7-chloro-4-phenyl-3-[1-(phenylmethyl)-4-piperidinyl]-1,4-dihydroquinazolin-2-one hydrochloride IUPAC Name: 3-(1-benzylpiperidin-4-yl)-7-chloro-4-phenyl-1,4-dihydroquinazolin-2-one hydrochloride Traditional Name: 3-(1-benzyl-4-piperidyl)-7-chloro-4-phenyl-1,4-dihydroquinazolin-2-one hydrochloride Formula: C26H27Cl2N3O MolecularWeight: 468.41808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(C3=C(C=C(C=C3)Cl)NC2=O)C4=CC=CC=C4)CC5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(CCC1N2C(C3=C(C=C(C=C3)Cl)NC2=O)C4=CC=CC=C4)CC5=CC=CC=C5.Cl

InChI

InChI=1S/C26H26ClN3O.ClH/c27-21-11-12-23-24(17-21)28-26(31)30(25(23)20-9-5-2-6-10-20)22-13-15-29(16-14-22)18-19-7-3-1-4-8-19;/h1-12,17,22,25H,13-16,18H2,(H,28,31);1H