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

Systemtic Name: N-butyl-1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-butyl-1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxamide CAS Name: N-butyl-1-[[3-methyl-1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-butyl-1-(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-butyl-1-(3-methyl-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:

CCCCNC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCCCNC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C25H31N5O2/c1-3-4-14-26-23(31)20-12-17-29(18-13-20)25(32)22-19(2)27-30(21-10-6-5-7-11-21)24(22)28-15-8-9-16-28/h5-11,15-16,20H,3-4,12-14,17-18H2,1-2H3,(H,26,31)