[4-[[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]carbamoyl]phenyl] ethanoate

Systemtic Name: [4-[[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]carbamoyl]phenyl] ethanoate Openeye Name: [4-[[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]carbamoyl]phenyl] acetate CAS Name: acetic acid [4-[[[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]carbamoyl]phenyl] acetate Traditional Name: acetic acid [4-[[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]carbamoyl]phenyl] ester Formula: C23H17N5O3 MolecularWeight: 411.41278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17N5O3/c1-14-11-21(26-20-6-4-3-5-19(14)20)28-22(17(12-24)13-25-28)27-23(30)16-7-9-18(10-8-16)31-15(2)29/h3-11,13H,1-2H3,(H,27,30)