ethyl 4-[[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]methyl]pyridine-3-carboxylate

Systemtic Name: ethyl 4-[[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]methyl]pyridine-3-carboxylate Openeye Name: ethyl 4-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]pyridine-3-carboxylate CAS Name: 4-[(2-benzoyl-1-cyano-1-isoquinolinyl)methyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]pyridine-3-carboxylate Traditional Name: 4-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]nicotinic acid ethyl ester Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CN=C1)CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(C=CN=C1)CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H21N3O3/c1-2-32-25(31)22-17-28-14-12-21(22)16-26(18-27)23-11-7-6-8-19(23)13-15-29(26)24(30)20-9-4-3-5-10-20/h3-15,17H,2,16H2,1H3