1-[4-(2-azanylethyl)-1,4-diazepan-1-yl]-2-ethyl-butan-1-one

Systemtic Name: 1-[4-(2-azanylethyl)-1,4-diazepan-1-yl]-2-ethyl-butan-1-one Openeye Name: 1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-ethyl-butan-1-one CAS Name: 1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-ethyl-1-butanone IUPAC Name: 1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-ethylbutan-1-one Traditional Name: 1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-ethyl-butan-1-one Formula: C13H27N3O MolecularWeight: 241.37298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCCN(CC1)CCN

Isomeric SMILES

CCC(CC)C(=O)N1CCCN(CC1)CCN

InChI

InChI=1S/C13H27N3O/c1-3-12(4-2)13(17)16-8-5-7-15(9-6-14)10-11-16/h12H,3-11,14H2,1-2H3