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

Systemtic Name: ethyl 1-[5-(1-methylpyrrol-2-yl)-2-phenyl-pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(1-methylpyrrol-2-yl)-2-phenyl-pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(1-methyl-2-pyrrolyl)-2-phenyl-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(1-methylpyrrol-2-yl)-2-phenylpyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(1-methylpyrrol-2-yl)-2-phenyl-pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CN4C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CN4C

InChI

InChI=1S/C23H26N4O3/c1-3-30-23(29)17-11-14-26(15-12-17)22(28)21-16-19(20-10-7-13-25(20)2)24-27(21)18-8-5-4-6-9-18/h4-10,13,16-17H,3,11-12,14-15H2,1-2H3