N4,N4-dibutyl-N2-(2,2-dimethoxyethyl)-3H-1,5-benzodiazepine-2,4-diamine

Systemtic Name: N4,N4-dibutyl-N2-(2,2-dimethoxyethyl)-3H-1,5-benzodiazepine-2,4-diamine Openeye Name: N4,N4-dibutyl-N2-(2,2-dimethoxyethyl)-3H-1,5-benzodiazepine-2,4-diamine CAS Name: N4,N4-dibutyl-N2-(2,2-dimethoxyethyl)-3H-1,5-benzodiazepine-2,4-diamine IUPAC Name: 4-N,4-N-dibutyl-2-N-(2,2-dimethoxyethyl)-3H-1,5-benzodiazepine-2,4-diamine Traditional Name: dibutyl-[2-(2,2-dimethoxyethylamino)-3H-1,5-benzodiazepin-4-yl]amine Formula: C21H34N4O2 MolecularWeight: 374.52026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=NC2=CC=CC=C2N=C(C1)NCC(OC)OC

Isomeric SMILES

CCCCN(CCCC)C1=NC2=CC=CC=C2N=C(C1)NCC(OC)OC

InChI

InChI=1S/C21H34N4O2/c1-5-7-13-25(14-8-6-2)20-15-19(22-16-21(26-3)27-4)23-17-11-9-10-12-18(17)24-20/h9-12,21H,5-8,13-16H2,1-4H3,(H,22,23)