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

Systemtic Name: (4S)-4-(cyclopropyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(cyclopropyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-(cyclopropyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-(cyclopropyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(cyclopropyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-quinone Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NC4CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NC4CC4)OC

InChI

InChI=1S/C21H20N2O4/c1-26-18-10-9-14(11-19(18)27-2)23-20(24)16-6-4-3-5-15(16)17(21(23)25)12-22-13-7-8-13/h3-6,9-13,17H,7-8H2,1-2H3/t17-/m1/s1