2-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(4-ethoxyphenyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-6,7-dimethoxy-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-keto-6,7-dimethoxy-2-p-phenetyl-isoquinoline-4-carboxamide Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C27H33N3O5/c1-5-29-13-7-8-19(29)16-28-26(31)23-17-30(18-9-11-20(12-10-18)35-6-2)27(32)22-15-25(34-4)24(33-3)14-21(22)23/h9-12,14-15,17,19H,5-8,13,16H2,1-4H3,(H,28,31)