3-chloranylaniline; 2-(3-oxidanylidenehexan-2-yl)-3-phenethyl-quinazolin-4-one

Systemtic Name: 3-chloranylaniline; 2-(3-oxidanylidenehexan-2-yl)-3-phenethyl-quinazolin-4-one Openeye Name: 3-chloroaniline; 2-(1-methyl-2-oxo-pentyl)-3-phenethyl-quinazolin-4-one CAS Name: 3-chloroaniline; 2-(3-oxohexan-2-yl)-3-phenethyl-4-quinazolinone IUPAC Name: 3-chloroaniline; 2-(3-oxohexan-2-yl)-3-phenethylquinazolin-4-one Traditional Name: (3-chlorophenyl)amine; 2-(2-keto-1-methyl-pentyl)-3-phenethyl-quinazolin-4-one Formula: C28H30ClN3O2 MolecularWeight: 476.0097

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C)C1=NC2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3.C1=CC(=CC(=C1)Cl)N

Isomeric SMILES

CCCC(=O)C(C)C1=NC2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3.C1=CC(=CC(=C1)Cl)N

InChI

InChI=1S/C22H24N2O2.C6H6ClN/c1-3-9-20(25)16(2)21-23-19-13-8-7-12-18(19)22(26)24(21)15-14-17-10-5-4-6-11-17;7-5-2-1-3-6(8)4-5/h4-8,10-13,16H,3,9,14-15H2,1-2H3;1-4H,8H2