4-chloranyl-N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]pyridine-2-carboxamide

Systemtic Name: 4-chloranyl-N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]pyridine-2-carboxamide Openeye Name: 4-chloro-N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]pyridine-2-carboxamide CAS Name: 4-chloro-N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-pyridinecarboxamide IUPAC Name: 4-chloro-N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridine-2-carboxamide Traditional Name: 4-chloro-N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]picolinamide Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CNC(=O)C3=NC=CC(=C3)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CNC(=O)C3=NC=CC(=C3)Cl)OCC

InChI

InChI=1S/C21H24ClN3O4/c1-3-28-18-9-14-6-8-25(13-15(14)10-19(18)29-4-2)20(26)12-24-21(27)17-11-16(22)5-7-23-17/h5,7,9-11H,3-4,6,8,12-13H2,1-2H3,(H,24,27)