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

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

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

Isomeric SMILES

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

InChI

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