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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-4-methoxy-N-phenethyl-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-phenethyl-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinyl]-4-methoxy-N-phenethylbenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-phenethylbenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(2-thenoyl)pyrrolidin-3-yl]-4-methoxy-N-phenethyl-benzamide Formula: C31H36N4O4S MolecularWeight: 560.70694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

InChI

InChI=1S/C31H36N4O4S/c1-39-26-12-10-24(11-13-26)29(36)34(18-14-23-7-3-2-4-8-23)25-21-27(30(37)33-17-6-15-32-16-19-33)35(22-25)31(38)28-9-5-20-40-28/h2-5,7-13,20,25,27,32H,6,14-19,21-22H2,1H3