2-(azepan-1-ium-1-yl)-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide Formula: C24H29N4O+ MolecularWeight: 389.51326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)C[NH+]4CCCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C([C@@H]1C3=CC=CC=C3)NC(=O)C[NH+]4CCCCCC4

InChI

InChI=1S/C24H28N4O/c1-18-23(19-11-5-4-6-12-19)24(26-21-14-8-7-13-20(21)25-18)27-22(29)17-28-15-9-2-3-10-16-28/h4-8,11-14,23H,2-3,9-10,15-17H2,1H3,(H,26,27,29)/p+1/t23-/m0/s1