4-(3-chloranyl-4-methyl-phenyl)-1-[[4-(phenylmethyl)piperidin-1-yl]methyl]quinazolin-2-one

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-1-[[4-(phenylmethyl)piperidin-1-yl]methyl]quinazolin-2-one Openeye Name: 1-[(4-benzyl-1-piperidyl)methyl]-4-(3-chloro-4-methyl-phenyl)quinazolin-2-one CAS Name: 4-(3-chloro-4-methylphenyl)-1-[[4-(phenylmethyl)-1-piperidinyl]methyl]-2-quinazolinone IUPAC Name: 1-[(4-benzylpiperidin-1-yl)methyl]-4-(3-chloro-4-methylphenyl)quinazolin-2-one Traditional Name: 1-[(4-benzylpiperidino)methyl]-4-(3-chloro-4-methyl-phenyl)quinazolin-2-one Formula: C28H28ClN3O MolecularWeight: 457.99442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=O)N(C3=CC=CC=C32)CN4CCC(CC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=O)N(C3=CC=CC=C32)CN4CCC(CC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C28H28ClN3O/c1-20-11-12-23(18-25(20)29)27-24-9-5-6-10-26(24)32(28(33)30-27)19-31-15-13-22(14-16-31)17-21-7-3-2-4-8-21/h2-12,18,22H,13-17,19H2,1H3