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

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(2-oxoazepan-3-yl)pyrazole-4-carboxamide CAS Name: N-(2-oxo-3-azepanyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(2-oxoazepan-3-yl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(2-ketoazepan-3-yl)pyrazole-4-carboxamide Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2/c22-16(20-15-8-4-5-9-18-17(15)23)14-10-19-21(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,10,12,15H,4-5,8-9,11H2,(H,18,23)(H,20,22)