4-[(6-chloranylpyridin-3-yl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one

Systemtic Name: 4-[(6-chloranylpyridin-3-yl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one Openeye Name: 4-[(6-chloro-3-pyridyl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-5-one CAS Name: 4-[(6-chloro-3-pyridinyl)methyl]-1-(3-pyridinylmethyl)-1,4-diazepan-5-one IUPAC Name: 4-[(6-chloropyridin-3-yl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one Traditional Name: 4-[(6-chloro-3-pyridyl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-5-one Formula: C17H19ClN4O MolecularWeight: 330.81196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CN=C(C=C2)Cl)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CN=C(C=C2)Cl)CC3=CN=CC=C3

InChI

InChI=1S/C17H19ClN4O/c18-16-4-3-15(11-20-16)13-22-9-8-21(7-5-17(22)23)12-14-2-1-6-19-10-14/h1-4,6,10-11H,5,7-9,12-13H2