ethyl 5-azanyl-1-[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylphenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylphenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)N

InChI

InChI=1S/C22H24N6O3/c1-2-31-22(30)18-15-25-28(20(18)23)17-8-6-16(7-9-17)21(29)27-13-11-26(12-14-27)19-5-3-4-10-24-19/h3-10,15H,2,11-14,23H2,1H3