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

Systemtic Name: N-(3-methylbutyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-isopentyl-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxamide CAS Name: N-(3-methylbutyl)-1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methylbutyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-isoamyl-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)isonipecotamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CC(C)CCNC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C25H31N5O2/c1-19(2)10-13-26-23(31)20-11-16-29(17-12-20)25(32)22-18-27-30(21-8-4-3-5-9-21)24(22)28-14-6-7-15-28/h3-9,14-15,18-20H,10-13,16-17H2,1-2H3,(H,26,31)