methyl 4-[(E)-3-[[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]amino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]amino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]amino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C25H19N5O3 MolecularWeight: 437.45006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C=CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)/C=C/C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H19N5O3/c1-16-13-22(28-21-6-4-3-5-20(16)21)30-24(19(14-26)15-27-30)29-23(31)12-9-17-7-10-18(11-8-17)25(32)33-2/h3-13,15H,1-2H3,(H,29,31)/b12-9+