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

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c30-23-15-8-3-9-17-28(23)18-10-16-26-25(31)22-19-29(21-13-6-2-7-14-21)27-24(22)20-11-4-1-5-12-20/h1-2,4-7,11-14,19H,3,8-10,15-18H2,(H,26,31)