3-chloranylaniline; 2-(2-methyl-5-oxidanylidene-octan-4-yl)-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 3-chloranylaniline; 2-(2-methyl-5-oxidanylidene-octan-4-yl)-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-(1-isobutyl-2-oxo-pentyl)quinazolin-4-one; 3-chloroaniline CAS Name: 3-chloroaniline; 2-(2-methyl-5-oxooctan-4-yl)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-(2-methyl-5-oxooctan-4-yl)quinazolin-4-one; 3-chloroaniline Traditional Name: 3-benzyl-2-(1-isobutyl-2-keto-pentyl)quinazolin-4-one; (3-chlorophenyl)amine Formula: C30H34ClN3O2 MolecularWeight: 504.06286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O2.C6H6ClN/c1-4-10-22(27)20(15-17(2)3)23-25-21-14-9-8-13-19(21)24(28)26(23)16-18-11-6-5-7-12-18;7-5-2-1-3-6(8)4-5/h5-9,11-14,17,20H,4,10,15-16H2,1-3H3;1-4H,8H2