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

Systemtic Name: 2-(3,4-dimethylphenyl)-4-(propyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(3,4-dimethylphenyl)-4-(propyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: 2-(3,4-dimethylphenyl)-4-(propyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3,4-dimethylphenyl)-4-(propyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(3,4-dimethylphenyl)-4-(propyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2/c1-4-11-22-13-19-17-7-5-6-8-18(17)20(24)23(21(19)25)16-10-9-14(2)15(3)12-16/h5-10,12-13,19H,4,11H2,1-3H3