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

Systemtic Name: 4-(butyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione Openeye Name: 4-(butyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: 4-(butyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-(butyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione Traditional Name: 4-(butyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-quinone Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-4-5-12-23-14-18-16-8-6-7-9-17(16)21(25)24(22(18)26)15-10-11-19(27-2)20(13-15)28-3/h6-11,13-14,18H,4-5,12H2,1-3H3