(4S)-2-(3,4-dimethoxyphenyl)-4-[(phenylmethyl)iminomethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(3,4-dimethoxyphenyl)-4-[(phenylmethyl)iminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(benzyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(3,4-dimethoxyphenyl)-4-[(phenylmethyl)iminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-(benzyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(benzyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-quinone Formula: C25H22N2O4 MolecularWeight: 414.45318

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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=NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H22N2O4/c1-30-22-13-12-18(14-23(22)31-2)27-24(28)20-11-7-6-10-19(20)21(25(27)29)16-26-15-17-8-4-3-5-9-17/h3-14,16,21H,15H2,1-2H3/t21-/m1/s1