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

Systemtic Name: 3-[4-(2-aminophenyl)piperazin-1-yl]azepan-2-one Openeye Name: 3-[4-(2-aminophenyl)piperazin-1-yl]azepan-2-one CAS Name: 3-[4-(2-aminophenyl)-1-piperazinyl]-2-azepanone IUPAC Name: 3-[4-(2-aminophenyl)piperazin-1-yl]azepan-2-one Traditional Name: 3-[4-(2-aminophenyl)piperazino]azepan-2-one Formula: C16H24N4O MolecularWeight: 288.38796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N2CCN(CC2)C3=CC=CC=C3N

Isomeric SMILES

C1CCNC(=O)C(C1)N2CCN(CC2)C3=CC=CC=C3N

InChI

InChI=1S/C16H24N4O/c17-13-5-1-2-6-14(13)19-9-11-20(12-10-19)15-7-3-4-8-18-16(15)21/h1-2,5-6,15H,3-4,7-12,17H2,(H,18,21)