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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-3-carboxamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-3-carboxamide CAS Name: N-(2-chloro-4-methylphenyl)-1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-3-piperidinecarboxamide IUPAC Name: N-(2-chloro-4-methylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)nipecotamide Formula: C27H26ClN5O2 MolecularWeight: 487.98064

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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)Cl

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)Cl

InChI

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