N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-2-(2-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-2-(2-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]-2-(2-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[2-(homoveratrylamino)-2-keto-ethyl]-1-keto-2-(2-methoxyphenyl)isoquinoline-4-carboxamide Formula: C29H29N3O6 MolecularWeight: 515.55706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4OC)OC

InChI

InChI=1S/C29H29N3O6/c1-36-24-11-7-6-10-23(24)32-18-22(20-8-4-5-9-21(20)29(32)35)28(34)31-17-27(33)30-15-14-19-12-13-25(37-2)26(16-19)38-3/h4-13,16,18H,14-15,17H2,1-3H3,(H,30,33)(H,31,34)