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

Systemtic Name: 3-[4-(3-aminophenyl)piperazin-1-yl]azepan-2-one Openeye Name: 3-[4-(3-aminophenyl)piperazin-1-yl]azepan-2-one CAS Name: 3-[4-(3-aminophenyl)-1-piperazinyl]-2-azepanone IUPAC Name: 3-[4-(3-aminophenyl)piperazin-1-yl]azepan-2-one Traditional Name: 3-[4-(3-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=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O/c17-13-4-3-5-14(12-13)19-8-10-20(11-9-19)15-6-1-2-7-18-16(15)21/h3-5,12,15H,1-2,6-11,17H2,(H,18,21)