N-(5-chloranylpyridin-2-yl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(5-chloro-2-pyridyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(5-chloro-2-pyridyl)-1-keto-6,7-dimethoxy-2-p-phenetyl-isoquinoline-4-carboxamide Formula: C25H22ClN3O5 MolecularWeight: 479.91228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)NC4=NC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)NC4=NC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN3O5/c1-4-34-17-8-6-16(7-9-17)29-14-20(24(30)28-23-10-5-15(26)13-27-23)18-11-21(32-2)22(33-3)12-19(18)25(29)31/h5-14H,4H2,1-3H3,(H,27,28,30)