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

Systemtic Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide CAS Name: 2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-N-[3-(2-oxo-1-azepanyl)propyl]acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide Traditional Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-N-[3-(2-ketoazepan-1-yl)propyl]acetamide Formula: C26H29ClN4O2 MolecularWeight: 464.98706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H29ClN4O2/c27-22-13-11-20(12-14-22)26-21(19-31(29-26)23-8-3-1-4-9-23)18-24(32)28-15-7-17-30-16-6-2-5-10-25(30)33/h1,3-4,8-9,11-14,19H,2,5-7,10,15-18H2,(H,28,32)