1-cyclohexyl-4-(5-methylthiophen-2-yl)carbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-(5-methylthiophen-2-yl)carbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-(5-methylthiophene-2-carbonyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[(5-methyl-2-thiophenyl)-oxomethyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-(5-methylthiophene-2-carbonyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-(5-methylthiophene-2-carbonyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CN=CC=C4

InChI

InChI=1S/C23H29N3O3S/c1-17-9-10-21(30-17)23(28)25-13-20(29-16-18-6-5-11-24-12-18)14-26(22(27)15-25)19-7-3-2-4-8-19/h5-6,9-12,19-20H,2-4,7-8,13-16H2,1H3