5-cyclopropyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: 5-cyclopropyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-phenyl-pyrazole-3-carboxamide Openeye Name: 5-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-cyclopropyl-N-[3-(2-oxo-1-azepanyl)propyl]-2-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-2-phenylpyrazole-3-carboxamide Traditional Name: 5-cyclopropyl-N-[3-(2-ketoazepan-1-yl)propyl]-2-phenyl-pyrazole-3-carboxamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H28N4O2/c27-21-10-5-2-6-14-25(21)15-7-13-23-22(28)20-16-19(17-11-12-17)24-26(20)18-8-3-1-4-9-18/h1,3-4,8-9,16-17H,2,5-7,10-15H2,(H,23,28)