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

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one Openeye Name: 4-[(5-chloro-2-thienyl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-5-one CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-1-(3-pyridinylmethyl)-1,4-diazepan-5-one IUPAC Name: 4-[(5-chlorothiophen-2-yl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one Traditional Name: 4-[(5-chloro-2-thienyl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-5-one Formula: C16H18ClN3OS MolecularWeight: 335.85162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=C(S2)Cl)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=C(S2)Cl)CC3=CN=CC=C3

InChI

InChI=1S/C16H18ClN3OS/c17-15-4-3-14(22-15)12-20-9-8-19(7-5-16(20)21)11-13-2-1-6-18-10-13/h1-4,6,10H,5,7-9,11-12H2