N-[5-(1,4-diazepan-1-ylcarbonyl)-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-(2-morpholinoethyl)benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinyl]-4-methoxy-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(2-thenoyl)pyrrolidin-3-yl]-4-methoxy-N-(2-morpholinoethyl)benzamide Formula: C29H39N5O5S MolecularWeight: 569.71546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCN2CCOCC2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCN2CCOCC2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

InChI

InChI=1S/C29H39N5O5S/c1-38-24-7-5-22(6-8-24)27(35)33(14-13-31-15-17-39-18-16-31)23-20-25(28(36)32-11-3-9-30-10-12-32)34(21-23)29(37)26-4-2-19-40-26/h2,4-8,19,23,25,30H,3,9-18,20-21H2,1H3