N-(3-methylbutyl)-1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-isopentyl-1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxamide CAS Name: N-(3-methylbutyl)-1-[[3-methyl-1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methylbutyl)-1-(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-isoamyl-1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)isonipecotamide Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCC(CC2)C(=O)NCCC(C)C)N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCC(CC2)C(=O)NCCC(C)C)N3C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N5O2/c1-19(2)11-14-27-24(32)21-12-17-30(18-13-21)26(33)23-20(3)28-31(22-9-5-4-6-10-22)25(23)29-15-7-8-16-29/h4-10,15-16,19,21H,11-14,17-18H2,1-3H3,(H,27,32)