4-(3-chloranylthiophen-2-yl)carbonyl-1-cyclohexyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(3-chloranylthiophen-2-yl)carbonyl-1-cyclohexyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(3-chlorothiophene-2-carbonyl)-1-cyclohexyl-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(3-chloro-2-thiophenyl)-oxomethyl]-1-cyclohexyl-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(3-chlorothiophene-2-carbonyl)-1-cyclohexyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(3-chlorothiophene-2-carbonyl)-1-cyclohexyl-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=C(C=CS3)Cl)OCC4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=C(C=CS3)Cl)OCC4=CC=CC=N4

InChI

InChI=1S/C22H26ClN3O3S/c23-19-9-11-30-21(19)22(28)25-12-18(29-15-16-6-4-5-10-24-16)13-26(20(27)14-25)17-7-2-1-3-8-17/h4-6,9-11,17-18H,1-3,7-8,12-15H2