N-(2-oxidanylideneazepan-3-yl)-2-(4-pyrazol-1-ylphenyl)ethanamide

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-2-(4-pyrazol-1-ylphenyl)ethanamide Openeye Name: N-(2-oxoazepan-3-yl)-2-(4-pyrazol-1-ylphenyl)acetamide CAS Name: N-(2-oxo-3-azepanyl)-2-[4-(1-pyrazolyl)phenyl]acetamide IUPAC Name: N-(2-oxoazepan-3-yl)-2-(4-pyrazol-1-ylphenyl)acetamide Traditional Name: N-(2-ketoazepan-3-yl)-2-(4-pyrazol-1-ylphenyl)acetamide Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)CC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C17H20N4O2/c22-16(20-15-4-1-2-9-18-17(15)23)12-13-5-7-14(8-6-13)21-11-3-10-19-21/h3,5-8,10-11,15H,1-2,4,9,12H2,(H,18,23)(H,20,22)