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

Systemtic Name: N-[5-(azepan-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-cyclohexyl-propanamide Openeye Name: N-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-cyclohexyl-propanamide CAS Name: N-[5-(1-azepanyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-cyclohexylpropanamide IUPAC Name: N-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-cyclohexylpropanamide Traditional Name: N-[5-(azepan-1-yl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-cyclohexyl-propionamide Formula: C25H36N4O2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCC3CCCCC3)N4CCCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCC3CCCCC3)N4CCCCCC4

InChI

InChI=1S/C25H36N4O2/c1-28-21-14-8-7-13-20(21)24(29-17-9-2-3-10-18-29)27-23(25(28)31)26-22(30)16-15-19-11-5-4-6-12-19/h7-8,13-14,19,23H,2-6,9-12,15-18H2,1H3,(H,26,30)