ethyl 1-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-methyl-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-methyl-1-(3-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[3-methyl-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2C)C3=CC=CC(=C3)C)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2C)C3=CC=CC(=C3)C)N4C=CC=C4

InChI

InChI=1S/C24H28N4O3/c1-4-31-24(30)19-10-8-14-27(16-19)23(29)21-18(3)25-28(20-11-7-9-17(2)15-20)22(21)26-12-5-6-13-26/h5-7,9,11-13,15,19H,4,8,10,14,16H2,1-3H3