N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-2-(2-oxidanylideneazepan-1-yl)ethanamide

Systemtic Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-2-(2-oxidanylideneazepan-1-yl)ethanamide Openeye Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide CAS Name: N-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-N-methyl-2-(2-oxo-1-azepanyl)acetamide IUPAC Name: N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide Traditional Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-(2-ketoazepan-1-yl)-N-methyl-acetamide Formula: C25H27ClN4O2 MolecularWeight: 450.96048

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)CN4CCCCCC4=O

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)CN4CCCCCC4=O

InChI

InChI=1S/C25H27ClN4O2/c1-28(24(32)18-29-15-7-3-6-10-23(29)31)16-20-17-30(22-8-4-2-5-9-22)27-25(20)19-11-13-21(26)14-12-19/h2,4-5,8-9,11-14,17H,3,6-7,10,15-16,18H2,1H3