4-[(4-chlorophenyl)amino]-3-(cyclohexylamino)isochromen-1-one

Systemtic Name: 4-[(4-chlorophenyl)amino]-3-(cyclohexylamino)isochromen-1-one Openeye Name: 4-(4-chloroanilino)-3-(cyclohexylamino)isochromen-1-one CAS Name: 4-(4-chloroanilino)-3-(cyclohexylamino)-2-benzopyran-1-one IUPAC Name: 4-(4-chloroanilino)-3-(cyclohexylamino)isochromen-1-one Traditional Name: 4-(4-chloroanilino)-3-(cyclohexylamino)isocoumarin Formula: C21H21ClN2O2 MolecularWeight: 368.85664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C3=CC=CC=C3C(=O)O2)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC2=C(C3=CC=CC=C3C(=O)O2)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O2/c22-14-10-12-16(13-11-14)23-19-17-8-4-5-9-18(17)21(25)26-20(19)24-15-6-2-1-3-7-15/h4-5,8-13,15,23-24H,1-3,6-7H2