[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H26N4O3/c1-17-14-20(27-12-6-7-13-27)10-11-22(17)26-23(29)16-31-24(30)21-15-25-28(18(21)2)19-8-4-3-5-9-19/h3-5,8-11,14-15H,6-7,12-13,16H2,1-2H3,(H,26,29)