N-(1-azanylcyclohexyl)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide

Systemtic Name: N-(1-azanylcyclohexyl)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide Openeye Name: N-(1-aminocyclohexyl)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide CAS Name: N-(1-aminocyclohexyl)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide IUPAC Name: N-(1-aminocyclohexyl)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide Traditional Name: N-(1-aminocyclohexyl)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)NC4(CCCCC4)N

Isomeric SMILES

C[N+]1(C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)NC4(CCCCC4)N

InChI

InChI=1S/C23H26N4O2/c1-27(22(29)26-23(24)14-8-3-9-15-23)19-13-7-6-12-18(19)21(25-16-20(27)28)17-10-4-2-5-11-17/h2,4-7,10-13H,3,8-9,14-16,24H2,1H3/p+1