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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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