diethyl 2-[(Z)-2-(isoquinolin-1-ylamino)ethenyl]-6-methyl-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[(Z)-2-(isoquinolin-1-ylamino)ethenyl]-6-methyl-pyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(Z)-2-(1-isoquinolylamino)vinyl]-6-methyl-pyridine-3,5-dicarboxylate CAS Name: 2-[(Z)-2-(1-isoquinolinylamino)ethenyl]-6-methylpyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(Z)-2-(isoquinolin-1-ylamino)ethenyl]-6-methylpyridine-3,5-dicarboxylate Traditional Name: 2-[(Z)-2-(1-isoquinolylamino)vinyl]-6-methyl-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1C=CNC2=NC=CC3=CC=CC=C32)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1/C=C\NC2=NC=CC3=CC=CC=C32)C)C(=O)OCC

InChI

InChI=1S/C23H23N3O4/c1-4-29-22(27)18-14-19(23(28)30-5-2)20(26-15(18)3)11-13-25-21-17-9-7-6-8-16(17)10-12-24-21/h6-14H,4-5H2,1-3H3,(H,24,25)/b13-11-