3-(2,4-dimethoxyphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(2,4-dimethoxyphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(2,4-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(2,4-dimethoxyphenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(2,4-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(2,4-dimethoxyphenyl)-N-[3-(2-ketoazepan-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NCCCN3CCCCCC3=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NCCCN3CCCCCC3=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H32N4O4/c1-34-21-13-14-22(24(18-21)35-2)26-23(19-31(29-26)20-10-5-3-6-11-20)27(33)28-15-9-17-30-16-8-4-7-12-25(30)32/h3,5-6,10-11,13-14,18-19H,4,7-9,12,15-17H2,1-2H3,(H,28,33)