N-(2-acetamidoethyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-fluorophenyl)pyridine-3-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-fluorophenyl)pyridine-3-carboxamide Openeye Name: N-(2-acetamidoethyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-fluorophenyl)pyridine-3-carboxamide CAS Name: N-(2-acetamidoethyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-fluorophenyl)-3-pyridinecarboxamide IUPAC Name: N-(2-acetamidoethyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-fluorophenyl)pyridine-3-carboxamide Traditional Name: N-(2-acetamidoethyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-fluorophenyl)nicotinamide Formula: C27H29FN4O4 MolecularWeight: 492.541963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=C(N=C(C=C1)C2=CC=C(C=C2)F)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC(=O)NCCNC(=O)C1=C(N=C(C=C1)C2=CC=C(C=C2)F)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C27H29FN4O4/c1-17(33)29-11-12-30-27(34)22-8-9-23(18-4-6-21(28)7-5-18)31-26(22)32-13-10-19-14-24(35-2)25(36-3)15-20(19)16-32/h4-9,14-15H,10-13,16H2,1-3H3,(H,29,33)(H,30,34)