N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(3-methoxyphenyl)carbonyl-pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(3-methoxyphenyl)carbonyl-pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-(tetrahydrofuran-2-ylmethyl)thiophene-2-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[(3-methoxyphenyl)-oxomethyl]-3-pyrrolidinyl]-N-(2-oxolanylmethyl)-2-thiophenecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-m-anisoyl-pyrrolidin-3-yl]-N-(tetrahydrofurfuryl)thiophene-2-carboxamide Formula: C28H36N4O5S MolecularWeight: 540.67424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CC4CCCO4)C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CC4CCCO4)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H36N4O5S/c1-36-22-7-2-6-20(16-22)26(33)32-18-21(17-24(32)27(34)30-12-5-10-29-11-13-30)31(19-23-8-3-14-37-23)28(35)25-9-4-15-38-25/h2,4,6-7,9,15-16,21,23-24,29H,3,5,8,10-14,17-19H2,1H3