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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinyl]-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(2-thenoyl)pyrrolidin-3-yl]-N-m-anisyl-4-methoxy-benzamide Formula: C31H36N4O5S MolecularWeight: 576.70634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OC)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OC)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

InChI

InChI=1S/C31H36N4O5S/c1-39-25-11-9-23(10-12-25)29(36)34(20-22-6-3-7-26(18-22)40-2)24-19-27(30(37)33-15-5-13-32-14-16-33)35(21-24)31(38)28-8-4-17-41-28/h3-4,6-12,17-18,24,27,32H,5,13-16,19-21H2,1-2H3