7-chloranyl-2-[1-[(4-methylphenyl)methyl]-6-oxidanylidene-piperidin-2-yl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[1-[(4-methylphenyl)methyl]-6-oxidanylidene-piperidin-2-yl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-7-chloro-2-[6-oxo-1-(p-tolylmethyl)-2-piperidyl]quinazolin-4-one CAS Name: 7-chloro-2-[1-[(4-methylphenyl)methyl]-6-oxo-2-piperidinyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-7-chloro-2-[1-[(4-methylphenyl)methyl]-6-oxopiperidin-2-yl]quinazolin-4-one Traditional Name: 3-benzyl-7-chloro-2-[6-keto-1-(4-methylbenzyl)-2-piperidyl]quinazolin-4-one Formula: C28H26ClN3O2 MolecularWeight: 471.97794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(CCCC2=O)C3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(CCCC2=O)C3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C28H26ClN3O2/c1-19-10-12-21(13-11-19)17-31-25(8-5-9-26(31)33)27-30-24-16-22(29)14-15-23(24)28(34)32(27)18-20-6-3-2-4-7-20/h2-4,6-7,10-16,25H,5,8-9,17-18H2,1H3