4-(3-chloranylthiophen-2-yl)carbonyl-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-(3-chloranylthiophen-2-yl)carbonyl-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 4-(3-chlorothiophene-2-carbonyl)-6-methoxy-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(3-chloro-2-thiophenyl)-oxomethyl]-6-methoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-(3-chlorothiophene-2-carbonyl)-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 4-(3-chlorothiophene-2-carbonyl)-6-methoxy-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC(=O)N(C1)CC2=CN=CC=C2)C(=O)C3=C(C=CS3)Cl

Isomeric SMILES

COC1CN(CC(=O)N(C1)CC2=CN=CC=C2)C(=O)C3=C(C=CS3)Cl

InChI

InChI=1S/C17H18ClN3O3S/c1-24-13-9-20(8-12-3-2-5-19-7-12)15(22)11-21(10-13)17(23)16-14(18)4-6-25-16/h2-7,13H,8-11H2,1H3