4-(5-ethanoylthiophen-3-yl)carbonyl-6-[(3-methoxyphenyl)methoxy]-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-(5-ethanoylthiophen-3-yl)carbonyl-6-[(3-methoxyphenyl)methoxy]-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one Openeye Name: 4-(5-acetylthiophene-3-carbonyl)-6-[(3-methoxyphenyl)methoxy]-1-(2-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(5-acetyl-3-thiophenyl)-oxomethyl]-6-[(3-methoxyphenyl)methoxy]-1-(2-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-(5-acetylthiophene-3-carbonyl)-6-[(3-methoxyphenyl)methoxy]-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one Traditional Name: 4-(5-acetylthiophene-3-carbonyl)-6-m-anisyloxy-1-(2-pyridylmethyl)-1,4-diazepan-2-one Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=N3)OCC4=CC(=CC=C4)OC

Isomeric SMILES

CC(=O)C1=CC(=CS1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=N3)OCC4=CC(=CC=C4)OC

InChI

InChI=1S/C26H27N3O5S/c1-18(30)24-11-20(17-35-24)26(32)29-14-23(34-16-19-6-5-8-22(10-19)33-2)13-28(25(31)15-29)12-21-7-3-4-9-27-21/h3-11,17,23H,12-16H2,1-2H3