N-[5-(azepan-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-4-cyclohexyl-butanamide

Systemtic Name: N-[5-(azepan-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-4-cyclohexyl-butanamide Openeye Name: N-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-4-cyclohexyl-butanamide CAS Name: N-[5-(1-azepanyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-4-cyclohexylbutanamide IUPAC Name: N-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-4-cyclohexylbutanamide Traditional Name: N-[5-(azepan-1-yl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-4-cyclohexyl-butyramide Formula: C26H38N4O2 MolecularWeight: 438.60552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCCC3CCCCC3)N4CCCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCCC3CCCCC3)N4CCCCCC4

InChI

InChI=1S/C26H38N4O2/c1-29-22-16-8-7-15-21(22)25(30-18-9-2-3-10-19-30)28-24(26(29)32)27-23(31)17-11-14-20-12-5-4-6-13-20/h7-8,15-16,20,24H,2-6,9-14,17-19H2,1H3,(H,27,31)