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

Systemtic Name: methyl 5-azanyl-1-[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylphenyl]pyrazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3/c1-30-21(29)17-14-24-27(19(17)22)16-7-5-15(6-8-16)20(28)26-12-10-25(11-13-26)18-4-2-3-9-23-18/h2-9,14H,10-13,22H2,1H3