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

Systemtic Name: 7-chloranyl-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-7-chloro-2-[1-(p-tolylmethyl)-4-piperidyl]quinazolin-4-one CAS Name: 7-chloro-2-[1-[(4-methylphenyl)methyl]-4-piperidinyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-7-chloro-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]quinazolin-4-one Traditional Name: 3-benzyl-7-chloro-2-[1-(4-methylbenzyl)-4-piperidyl]quinazolin-4-one Formula: C28H28ClN3O MolecularWeight: 457.99442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CC2)C3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(CC2)C3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

InChI

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