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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(3-methoxyphenyl)carbonyl-pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[(3-methoxyphenyl)-oxomethyl]-3-pyrrolidinyl]-N-phenethyl-2-thiophenecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-phenethylthiophene-2-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-m-anisoyl-pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide Formula: C31H36N4O4S MolecularWeight: 560.70694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

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