N-(2,3-dimethylphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-(2,3-dimethylphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-3-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-3-carboxamide CAS Name: N-(2,3-dimethylphenyl)-1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-3-piperidinecarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)nipecotamide Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)C

InChI

InChI=1S/C28H29N5O2/c1-20-10-8-14-25(21(20)2)30-26(34)22-11-9-17-32(19-22)28(35)24-18-29-33(23-12-4-3-5-13-23)27(24)31-15-6-7-16-31/h3-8,10,12-16,18,22H,9,11,17,19H2,1-2H3,(H,30,34)