1-[4-(4-azanylbutyl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-(4-azanylbutyl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one Formula: C14H29N3O MolecularWeight: 255.39956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCN(CC1)CCCCN

Isomeric SMILES

CC(C)CC(=O)N1CCCN(CC1)CCCCN

InChI

InChI=1S/C14H29N3O/c1-13(2)12-14(18)17-9-5-8-16(10-11-17)7-4-3-6-15/h13H,3-12,15H2,1-2H3