3-chloranylaniline; 3-[(4-chlorophenyl)methyl]-2-(3-oxidanylidenehexan-2-yl)quinazolin-4-one

Systemtic Name: 3-chloranylaniline; 3-[(4-chlorophenyl)methyl]-2-(3-oxidanylidenehexan-2-yl)quinazolin-4-one Openeye Name: 3-chloroaniline; 3-[(4-chlorophenyl)methyl]-2-(1-methyl-2-oxo-pentyl)quinazolin-4-one CAS Name: 3-chloroaniline; 3-[(4-chlorophenyl)methyl]-2-(3-oxohexan-2-yl)-4-quinazolinone IUPAC Name: 3-chloroaniline; 3-[(4-chlorophenyl)methyl]-2-(3-oxohexan-2-yl)quinazolin-4-one Traditional Name: 3-(4-chlorobenzyl)-2-(2-keto-1-methyl-pentyl)quinazolin-4-one; (3-chlorophenyl)amine Formula: C27H27Cl2N3O2 MolecularWeight: 496.42818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2.C6H6ClN/c1-3-6-19(25)14(2)20-23-18-8-5-4-7-17(18)21(26)24(20)13-15-9-11-16(22)12-10-15;7-5-2-1-3-6(8)4-5/h4-5,7-12,14H,3,6,13H2,1-2H3;1-4H,8H2