N-(5-chloranyl-2-methyl-phenyl)-1-[5-methyl-4-(2-methylpropanoylamino)-2-phenyl-pyrazol-3-yl]piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-1-[5-methyl-4-(2-methylpropanoylamino)-2-phenyl-pyrazol-3-yl]piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-1-[5-methyl-4-(2-methylpropanoylamino)-2-phenyl-pyrazol-3-yl]piperidine-4-carboxamide CAS Name: N-(5-chloro-2-methylphenyl)-1-[5-methyl-4-[(2-methyl-1-oxopropyl)amino]-2-phenyl-3-pyrazolyl]-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-methylphenyl)-1-[5-methyl-4-(2-methylpropanoylamino)-2-phenylpyrazol-3-yl]piperidine-4-carboxamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-1-[4-(isobutyrylamino)-5-methyl-2-phenyl-pyrazol-3-yl]isonipecotamide Formula: C27H32ClN5O2 MolecularWeight: 494.02828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)C3=C(C(=NN3C4=CC=CC=C4)C)NC(=O)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)C3=C(C(=NN3C4=CC=CC=C4)C)NC(=O)C(C)C

InChI

InChI=1S/C27H32ClN5O2/c1-17(2)25(34)30-24-19(4)31-33(22-8-6-5-7-9-22)27(24)32-14-12-20(13-15-32)26(35)29-23-16-21(28)11-10-18(23)3/h5-11,16-17,20H,12-15H2,1-4H3,(H,29,35)(H,30,34)