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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-(propyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(3,4-dimethoxyphenyl)-4-(propyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: 2-(3,4-dimethoxyphenyl)-4-(propyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-(propyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(3,4-dimethoxyphenyl)-4-(propyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O4/c1-4-11-22-13-17-15-7-5-6-8-16(15)20(24)23(21(17)25)14-9-10-18(26-2)19(12-14)27-3/h5-10,12-13,17H,4,11H2,1-3H3