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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCC(C2)C3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCC(C2)C3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

InChI

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