(4R)-4-(cycloheptyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4R)-4-(cycloheptyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione Openeye Name: (4R)-4-(cycloheptyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: (4R)-4-(cycloheptyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4R)-4-(cycloheptyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione Traditional Name: (4R)-4-(cycloheptyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-quinone Formula: C25H28N2O4 MolecularWeight: 420.50082

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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=NC4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)[C@H](C3=CC=CC=C3C2=O)C=NC4CCCCCC4)OC

InChI

InChI=1S/C25H28N2O4/c1-30-22-14-13-18(15-23(22)31-2)27-24(28)20-12-8-7-11-19(20)21(25(27)29)16-26-17-9-5-3-4-6-10-17/h7-8,11-17,21H,3-6,9-10H2,1-2H3/t21-/m0/s1