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

Systemtic Name: 3-[4-(3-azanylpyridin-4-yl)piperazin-1-yl]azepan-2-one Openeye Name: 3-[4-(3-amino-4-pyridyl)piperazin-1-yl]azepan-2-one CAS Name: 3-[4-(3-amino-4-pyridinyl)-1-piperazinyl]-2-azepanone IUPAC Name: 3-[4-(3-aminopyridin-4-yl)piperazin-1-yl]azepan-2-one Traditional Name: 3-[4-(3-amino-4-pyridyl)piperazino]azepan-2-one Formula: C15H23N5O MolecularWeight: 289.37602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N5O/c16-12-11-17-6-4-13(12)19-7-9-20(10-8-19)14-3-1-2-5-18-15(14)21/h4,6,11,14H,1-3,5,7-10,16H2,(H,18,21)