1-(4-azanylbutyl)-3-(2-methylpropyl)-5-nonyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-(4-azanylbutyl)-3-(2-methylpropyl)-5-nonyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(4-aminobutyl)-3-isobutyl-5-nonyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-(4-aminobutyl)-3-(2-methylpropyl)-5-nonyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(4-aminobutyl)-3-(2-methylpropyl)-5-nonyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(4-aminobutyl)-3-isobutyl-5-nonyl-3H-1,4-benzodiazepin-2-one Formula: C26H43N3O MolecularWeight: 413.63912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC(C(=O)N(C2=CC=CC=C21)CCCCN)CC(C)C

Isomeric SMILES

CCCCCCCCCC1=NC(C(=O)N(C2=CC=CC=C21)CCCCN)CC(C)C

InChI

InChI=1S/C26H43N3O/c1-4-5-6-7-8-9-10-16-23-22-15-11-12-17-25(22)29(19-14-13-18-27)26(30)24(28-23)20-21(2)3/h11-12,15,17,21,24H,4-10,13-14,16,18-20,27H2,1-3H3