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

Systemtic Name: ethyl 4-[1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(3-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3/c1-3-30-22(29)26-13-11-25(12-14-26)21(28)19-16-23-27(18-8-6-7-17(2)15-18)20(19)24-9-4-5-10-24/h4-10,15-16H,3,11-14H2,1-2H3