(4S)-4-(cyclohexyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-4-(cyclohexyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(cyclohexyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-(cyclohexyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-(cyclohexyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(cyclohexyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-quinone Formula: C24H26N2O4 MolecularWeight: 406.47424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NC4CCCCC4)OC

InChI

InChI=1S/C24H26N2O4/c1-29-21-13-12-17(14-22(21)30-2)26-23(27)19-11-7-6-10-18(19)20(24(26)28)15-25-16-8-4-3-5-9-16/h6-7,10-16,20H,3-5,8-9H2,1-2H3/t20-/m1/s1