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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)isonipecotamide Formula: C27H26ClN5O2 MolecularWeight: 487.98064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)Cl

InChI

InChI=1S/C27H26ClN5O2/c1-19-9-10-21(17-24(19)28)30-25(34)20-11-15-32(16-12-20)27(35)23-18-29-33(22-7-3-2-4-8-22)26(23)31-13-5-6-14-31/h2-10,13-14,17-18,20H,11-12,15-16H2,1H3,(H,30,34)