3-[4-(2-azanylethyl)-1,4-diazepan-1-yl]azepan-2-one

Systemtic Name: 3-[4-(2-azanylethyl)-1,4-diazepan-1-yl]azepan-2-one Openeye Name: 3-[4-(2-aminoethyl)-1,4-diazepan-1-yl]azepan-2-one CAS Name: 3-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-azepanone IUPAC Name: 3-[4-(2-aminoethyl)-1,4-diazepan-1-yl]azepan-2-one Traditional Name: 3-[4-(2-aminoethyl)-1,4-diazepan-1-yl]azepan-2-one Formula: C13H26N4O MolecularWeight: 254.37174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N2CCCN(CC2)CCN

Isomeric SMILES

C1CCNC(=O)C(C1)N2CCCN(CC2)CCN

InChI

InChI=1S/C13H26N4O/c14-5-9-16-7-3-8-17(11-10-16)12-4-1-2-6-15-13(12)18/h12H,1-11,14H2,(H,15,18)