1-[(2-azanyl-3-chloranyl-pyridin-4-yl)methyl]-4-methyl-1,4-diazepan-5-one

Systemtic Name: 1-[(2-azanyl-3-chloranyl-pyridin-4-yl)methyl]-4-methyl-1,4-diazepan-5-one Openeye Name: 1-[(2-amino-3-chloro-4-pyridyl)methyl]-4-methyl-1,4-diazepan-5-one CAS Name: 1-[(2-amino-3-chloro-4-pyridinyl)methyl]-4-methyl-1,4-diazepan-5-one IUPAC Name: 1-[(2-amino-3-chloropyridin-4-yl)methyl]-4-methyl-1,4-diazepan-5-one Traditional Name: 1-[(2-amino-3-chloro-4-pyridyl)methyl]-4-methyl-1,4-diazepan-5-one Formula: C12H17ClN4O MolecularWeight: 268.74258

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CCC1=O)CC2=C(C(=NC=C2)N)Cl

Isomeric SMILES

CN1CCN(CCC1=O)CC2=C(C(=NC=C2)N)Cl

InChI

InChI=1S/C12H17ClN4O/c1-16-6-7-17(5-3-10(16)18)8-9-2-4-15-12(14)11(9)13/h2,4H,3,5-8H2,1H3,(H2,14,15)