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

Systemtic Name: N-(2,4-dimethylphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-3-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-3-carboxamide CAS Name: N-(2,4-dimethylphenyl)-1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-3-piperidinecarboxamide IUPAC Name: N-(2,4-dimethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide Traditional Name: N-(2,4-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=CC(=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)C

Isomeric SMILES

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

InChI

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