3-[4-(3-azanylpropyl)piperazin-1-yl]azepan-2-one

Systemtic Name: 3-[4-(3-azanylpropyl)piperazin-1-yl]azepan-2-one Openeye Name: 3-[4-(3-aminopropyl)piperazin-1-yl]azepan-2-one CAS Name: 3-[4-(3-aminopropyl)-1-piperazinyl]-2-azepanone IUPAC Name: 3-[4-(3-aminopropyl)piperazin-1-yl]azepan-2-one Traditional Name: 3-[4-(3-aminopropyl)piperazino]azepan-2-one Formula: C13H26N4O MolecularWeight: 254.37174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N2CCN(CC2)CCCN

Isomeric SMILES

C1CCNC(=O)C(C1)N2CCN(CC2)CCCN

InChI

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