N-[4-(azepan-1-yl)-3-cyano-phenyl]-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)-3-cyano-phenyl]-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[4-(azepan-1-yl)-3-cyano-phenyl]-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[4-(1-azepanyl)-3-cyanophenyl]-1-(4-chlorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[4-(azepan-1-yl)-3-cyanophenyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[4-(azepan-1-yl)-3-cyano-phenyl]-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C24H24ClN5O MolecularWeight: 433.93326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCCCCC4)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCCCCC4)C#N

InChI

InChI=1S/C24H24ClN5O/c1-17-22(16-27-30(17)21-9-6-19(25)7-10-21)24(31)28-20-8-11-23(18(14-20)15-26)29-12-4-2-3-5-13-29/h6-11,14,16H,2-5,12-13H2,1H3,(H,28,31)