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

Systemtic Name: 3-(4-methoxyphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(4-methoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C26H30N4O3 MolecularWeight: 446.5414

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3/c1-33-22-14-12-20(13-15-22)25-23(19-30(28-25)21-9-4-2-5-10-21)26(32)27-16-8-18-29-17-7-3-6-11-24(29)31/h2,4-5,9-10,12-15,19H,3,6-8,11,16-18H2,1H3,(H,27,32)