N-(2-oxidanylideneazepan-3-yl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(2-oxoazepan-3-yl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(2-oxo-3-azepanyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(2-oxoazepan-3-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(2-ketoazepan-3-yl)-1-phenyl-pyrazole-4-carboxamide Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

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