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

Systemtic Name: N-cyclopropyl-N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(3-methoxyphenyl)carbonyl-pyrrolidin-3-yl]thiophene-2-carboxamide Openeye Name: N-cyclopropyl-N-[5-(1,4-diazepane-1-carbonyl)-1-(3-methoxybenzoyl)pyrrolidin-3-yl]thiophene-2-carboxamide CAS Name: N-cyclopropyl-N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[(3-methoxyphenyl)-oxomethyl]-3-pyrrolidinyl]-2-thiophenecarboxamide IUPAC Name: N-cyclopropyl-N-[5-(1,4-diazepane-1-carbonyl)-1-(3-methoxybenzoyl)pyrrolidin-3-yl]thiophene-2-carboxamide Traditional Name: N-cyclopropyl-N-[5-(1,4-diazepane-1-carbonyl)-1-m-anisoyl-pyrrolidin-3-yl]thiophene-2-carboxamide Formula: C26H32N4O4S MolecularWeight: 496.62168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(C4CC4)C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(C4CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H32N4O4S/c1-34-21-6-2-5-18(15-21)24(31)29-17-20(16-22(29)25(32)28-12-4-10-27-11-13-28)30(19-8-9-19)26(33)23-7-3-14-35-23/h2-3,5-7,14-15,19-20,22,27H,4,8-13,16-17H2,1H3