1-[1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]isonipecotamide Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCC(CC3)C(=O)N)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCC(CC3)C(=O)N)N4C=CC=C4

InChI

InChI=1S/C21H23N5O2/c1-15-4-6-17(7-5-15)26-20(24-10-2-3-11-24)18(14-23-26)21(28)25-12-8-16(9-13-25)19(22)27/h2-7,10-11,14,16H,8-9,12-13H2,1H3,(H2,22,27)