6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide

Systemtic Name: 6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide Openeye Name: 2-isobutyl-6,7-dimethoxy-1-oxo-N-(3-pyridylmethyl)isoquinoline-4-carboxamide CAS Name: 6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-N-(3-pyridinylmethyl)-4-isoquinolinecarboxamide IUPAC Name: 6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide Traditional Name: 2-isobutyl-1-keto-6,7-dimethoxy-N-(3-pyridylmethyl)isoquinoline-4-carboxamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-14(2)12-25-13-18(21(26)24-11-15-6-5-7-23-10-15)16-8-19(28-3)20(29-4)9-17(16)22(25)27/h5-10,13-14H,11-12H2,1-4H3,(H,24,26)