2-(5-cyclohexyl-1-methyl-4-oxidanidyl-2-oxidanylidene-1,3,4-benzotriazepin-4-ium-3-yl)-N-phenyl-ethanamide

Systemtic Name: 2-(5-cyclohexyl-1-methyl-4-oxidanidyl-2-oxidanylidene-1,3,4-benzotriazepin-4-ium-3-yl)-N-phenyl-ethanamide Openeye Name: 2-(5-cyclohexyl-1-methyl-4-oxido-2-oxo-1,3,4-benzotriazepin-4-ium-3-yl)-N-phenyl-acetamide CAS Name: 2-(5-cyclohexyl-1-methyl-4-oxido-2-oxo-1,3,4-benzotriazepin-4-ium-3-yl)-N-phenylacetamide IUPAC Name: 2-(5-cyclohexyl-1-methyl-4-oxido-2-oxo-1,3,4-benzotriazepin-4-ium-3-yl)-N-phenylacetamide Traditional Name: 2-(5-cyclohexyl-2-keto-1-methyl-4-oxido-1,3,4-benzotriazepin-4-ium-3-yl)-N-phenyl-acetamide Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=[N+](N(C1=O)CC(=O)NC3=CC=CC=C3)[O-])C4CCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2C(=[N+](N(C1=O)CC(=O)NC3=CC=CC=C3)[O-])C4CCCCC4

InChI

InChI=1S/C23H26N4O3/c1-25-20-15-9-8-14-19(20)22(17-10-4-2-5-11-17)27(30)26(23(25)29)16-21(28)24-18-12-6-3-7-13-18/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,24,28)