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

Systemtic Name: 3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one hydrochloride Openeye Name: 3-[1-(m-tolylmethyl)-4-piperidyl]-4-phenyl-1,4-dihydroquinazolin-2-one hydrochloride CAS Name: 3-[1-[(3-methylphenyl)methyl]-4-piperidinyl]-4-phenyl-1,4-dihydroquinazolin-2-one hydrochloride IUPAC Name: 3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one hydrochloride Traditional Name: 3-[1-(3-methylbenzyl)-4-piperidyl]-4-phenyl-1,4-dihydroquinazolin-2-one hydrochloride Formula: C27H30ClN3O MolecularWeight: 447.9996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCC(CC2)N3C(C4=CC=CC=C4NC3=O)C5=CC=CC=C5.Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC(CC2)N3C(C4=CC=CC=C4NC3=O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C27H29N3O.ClH/c1-20-8-7-9-21(18-20)19-29-16-14-23(15-17-29)30-26(22-10-3-2-4-11-22)24-12-5-6-13-25(24)28-27(30)31;/h2-13,18,23,26H,14-17,19H2,1H3,(H,28,31);1H