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

Systemtic Name: 7-chloranyl-2-[1-(4-methylphenyl)carbonylpiperidin-3-yl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-7-chloro-2-[1-(4-methylbenzoyl)-3-piperidyl]quinazolin-4-one CAS Name: 7-chloro-2-[1-[(4-methylphenyl)-oxomethyl]-3-piperidinyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-7-chloro-2-[1-(4-methylbenzoyl)piperidin-3-yl]quinazolin-4-one Traditional Name: 3-benzyl-7-chloro-2-(1-p-toluoyl-3-piperidyl)quinazolin-4-one Formula: C28H26ClN3O2 MolecularWeight: 471.97794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

InChI

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