N-(2-oxidanylideneazepan-3-yl)-4-pyrazol-1-yl-benzamide

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-4-pyrazol-1-yl-benzamide Openeye Name: N-(2-oxoazepan-3-yl)-4-pyrazol-1-yl-benzamide CAS Name: N-(2-oxo-3-azepanyl)-4-(1-pyrazolyl)benzamide IUPAC Name: N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzamide Traditional Name: N-(2-ketoazepan-3-yl)-4-pyrazol-1-yl-benzamide Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C16H18N4O2/c21-15(19-14-4-1-2-9-17-16(14)22)12-5-7-13(8-6-12)20-11-3-10-18-20/h3,5-8,10-11,14H,1-2,4,9H2,(H,17,22)(H,19,21)