ethyl 6-[4-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[3-(m-tolyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[3-(3-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[3-(m-tolyl)-1-phenyl-pyrazole-4-carbonyl]piperazino]nicotinic acid ethyl ester Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CC(=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CC(=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C29H29N5O3/c1-3-37-29(36)23-12-13-26(30-19-23)32-14-16-33(17-15-32)28(35)25-20-34(24-10-5-4-6-11-24)31-27(25)22-9-7-8-21(2)18-22/h4-13,18-20H,3,14-17H2,1-2H3