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

Systemtic Name: 1-[4-(2-azanylethyl)-1,4-diazepan-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-ethyl-hexan-1-one Formula: C15H31N3O MolecularWeight: 269.42614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H31N3O/c1-3-5-7-14(4-2)15(19)18-10-6-9-17(11-8-16)12-13-18/h14H,3-13,16H2,1-2H3