3-chloranylaniline; 2-(1-oxidanylidene-1-phenyl-propan-2-yl)-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 3-chloranylaniline; 2-(1-oxidanylidene-1-phenyl-propan-2-yl)-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-(1-methyl-2-oxo-2-phenyl-ethyl)quinazolin-4-one; 3-chloroaniline CAS Name: 3-chloroaniline; 2-(1-oxo-1-phenylpropan-2-yl)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one; 3-chloroaniline Traditional Name: 3-benzyl-2-(2-keto-1-methyl-2-phenyl-ethyl)quinazolin-4-one; (3-chlorophenyl)amine Formula: C30H26ClN3O2 MolecularWeight: 495.99934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)C(=O)C4=CC=CC=C4.C1=CC(=CC(=C1)Cl)N

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)C(=O)C4=CC=CC=C4.C1=CC(=CC(=C1)Cl)N

InChI

InChI=1S/C24H20N2O2.C6H6ClN/c1-17(22(27)19-12-6-3-7-13-19)23-25-21-15-9-8-14-20(21)24(28)26(23)16-18-10-4-2-5-11-18;7-5-2-1-3-6(8)4-5/h2-15,17H,16H2,1H3;1-4H,8H2