3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one hydrochloride

Systemtic Name: 3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one hydrochloride Openeye Name: 3-[1-[(3,5-dimethoxyphenyl)methyl]-4-piperidyl]-4-phenyl-1,4-dihydroquinazolin-2-one hydrochloride CAS Name: 3-[1-[(3,5-dimethoxyphenyl)methyl]-4-piperidinyl]-4-phenyl-1,4-dihydroquinazolin-2-one hydrochloride IUPAC Name: 3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one hydrochloride Traditional Name: 3-[1-(3,5-dimethoxybenzyl)-4-piperidyl]-4-phenyl-1,4-dihydroquinazolin-2-one hydrochloride Formula: C28H32ClN3O3 MolecularWeight: 494.02498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CCC(CC2)N3C(C4=CC=CC=C4NC3=O)C5=CC=CC=C5)OC.Cl

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CCC(CC2)N3C(C4=CC=CC=C4NC3=O)C5=CC=CC=C5)OC.Cl

InChI

InChI=1S/C28H31N3O3.ClH/c1-33-23-16-20(17-24(18-23)34-2)19-30-14-12-22(13-15-30)31-27(21-8-4-3-5-9-21)25-10-6-7-11-26(25)29-28(31)32;/h3-11,16-18,22,27H,12-15,19H2,1-2H3,(H,29,32);1H