(4S)-4-(cyclopropyliminomethyl)-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-4-(cyclopropyliminomethyl)-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(cyclopropyliminomethyl)-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-(cyclopropyliminomethyl)-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-(cyclopropyliminomethyl)-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(cyclopropyliminomethyl)-2-(3,4-dimethylphenyl)-4H-isoquinoline-1,3-quinone Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NC4CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NC4CC4)C

InChI

InChI=1S/C21H20N2O2/c1-13-7-10-16(11-14(13)2)23-20(24)18-6-4-3-5-17(18)19(21(23)25)12-22-15-8-9-15/h3-7,10-12,15,19H,8-9H2,1-2H3/t19-/m1/s1