3-cyclohexyl-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,2-benzodiazepin-2-ium-3-yl)propanamide

Systemtic Name: 3-cyclohexyl-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,2-benzodiazepin-2-ium-3-yl)propanamide Openeye Name: 3-cyclohexyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,2-benzodiazepin-2-ium-3-yl)propanamide CAS Name: 3-cyclohexyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,2-benzodiazepin-2-ium-3-yl)propanamide IUPAC Name: 3-cyclohexyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,2-benzodiazepin-2-ium-3-yl)propanamide Traditional Name: 3-cyclohexyl-N-(2-keto-1-methyl-5-phenyl-3H-1,2-benzodiazepin-2-ium-3-yl)propionamide Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC([N+]1=O)NC(=O)CCC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC([N+]1=O)NC(=O)CCC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c1-27-23-15-9-8-14-21(23)22(20-12-6-3-7-13-20)18-24(28(27)30)26-25(29)17-16-19-10-4-2-5-11-19/h3,6-9,12-15,18-19,24H,2,4-5,10-11,16-17H2,1H3/p+1