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

Systemtic Name: ethyl 4-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-methyl-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-methyl-1-(3-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-methyl-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2C)C3=CC=CC(=C3)C)N4C=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2C)C3=CC=CC(=C3)C)N4C=CC=C4

InChI

InChI=1S/C23H27N5O3/c1-4-31-23(30)27-14-12-26(13-15-27)22(29)20-18(3)24-28(19-9-7-8-17(2)16-19)21(20)25-10-5-6-11-25/h5-11,16H,4,12-15H2,1-3H3