2-(3,4-dimethoxyphenyl)-4-(3-ethylpent-1-yn-3-yliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-(3-ethylpent-1-yn-3-yliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: 4-(1,1-diethylprop-2-ynyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: 2-(3,4-dimethoxyphenyl)-4-(3-ethylpent-1-yn-3-yliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-(3-ethylpent-1-yn-3-yliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: 4-(1,1-diethylprop-2-ynyliminomethyl)-2-(3,4-dimethoxyphenyl)-4H-isoquinoline-1,3-quinone Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4/c1-6-25(7-2,8-3)26-16-20-18-11-9-10-12-19(18)23(28)27(24(20)29)17-13-14-21(30-4)22(15-17)31-5/h1,9-16,20H,7-8H2,2-5H3