2-(azepan-1-yl)-2-oxidanylidene-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(azepan-1-yl)-2-oxidanylidene-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(azepan-1-yl)-2-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide CAS Name: 2-(1-azepanyl)-2-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-yl)-2-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(azepan-1-yl)-2-keto-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C17H21N5O2/c23-16(17(24)21-9-3-1-2-4-10-21)20-15-7-5-14(6-8-15)11-22-13-18-12-19-22/h5-8,12-13H,1-4,9-11H2,(H,20,23)