N-(2-oxidanylideneazepan-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide Openeye Name: N-(2-oxoazepan-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide CAS Name: N-(2-oxo-3-azepanyl)-3-phenyl-1H-pyrazole-5-carboxamide IUPAC Name: N-(2-oxoazepan-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide Traditional Name: N-(2-ketoazepan-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2/c21-15-12(8-4-5-9-17-15)18-16(22)14-10-13(19-20-14)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2,(H,17,21)(H,18,22)(H,19,20)