ethyl 1-[4-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[4-(4-cyano-2-pyridyl)piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[4-(4-cyano-2-pyridinyl)-1-piperazinyl]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-(4-cyanopyridin-2-yl)piperazine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[4-(4-cyano-2-pyridyl)piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C24H24N6O3 MolecularWeight: 444.48576

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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=NC=CC(=C4)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C24H24N6O3/c1-3-33-24(32)21-16-27-30(17(21)2)20-6-4-19(5-7-20)23(31)29-12-10-28(11-13-29)22-14-18(15-25)8-9-26-22/h4-9,14,16H,3,10-13H2,1-2H3