1-[2-[[4-(3-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]methyl]morpholin-4-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[2-[[4-(3-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]methyl]morpholin-4-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholin-4-yl]-2-(2-thienyl)ethanone CAS Name: 1-[2-[[4-[(3-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-4-morpholinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[2-[(4-m-anisoyl-1,4-diazepan-1-yl)methyl]morpholino]-2-(2-thienyl)ethanone Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3CN(CCO3)C(=O)CC4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3CN(CCO3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C24H31N3O4S/c1-30-20-6-2-5-19(15-20)24(29)26-9-4-8-25(10-11-26)17-21-18-27(12-13-31-21)23(28)16-22-7-3-14-32-22/h2-3,5-7,14-15,21H,4,8-13,16-18H2,1H3