ethyl 4-[5-(1-methylpyrrol-2-yl)-2-phenyl-pyrazol-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-(1-methylpyrrol-2-yl)-2-phenyl-pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-(1-methylpyrrol-2-yl)-2-phenyl-pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-(1-methyl-2-pyrrolyl)-2-phenyl-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(1-methylpyrrol-2-yl)-2-phenylpyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-(1-methylpyrrol-2-yl)-2-phenyl-pyrazole-3-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=CC(=NN2C3=CC=CC=C3)C4=CC=CN4C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CN4C

InChI

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