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

Systemtic Name: 7-chloranyl-2-[1-(4-methylphenyl)carbonylpyrrolidin-2-yl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-7-chloro-2-[1-(4-methylbenzoyl)pyrrolidin-2-yl]quinazolin-4-one CAS Name: 7-chloro-2-[1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-7-chloro-2-[1-(4-methylbenzoyl)pyrrolidin-2-yl]quinazolin-4-one Traditional Name: 3-benzyl-7-chloro-2-(1-p-toluoylpyrrolidin-2-yl)quinazolin-4-one Formula: C27H24ClN3O2 MolecularWeight: 457.95136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC2C3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC2C3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C27H24ClN3O2/c1-18-9-11-20(12-10-18)26(32)30-15-5-8-24(30)25-29-23-16-21(28)13-14-22(23)27(33)31(25)17-19-6-3-2-4-7-19/h2-4,6-7,9-14,16,24H,5,8,15,17H2,1H3