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

Systemtic Name: N-cyclopropyl-N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(4-fluorophenyl)carbonyl-pyrrolidin-3-yl]thiophene-2-carboxamide Openeye Name: N-cyclopropyl-N-[5-(1,4-diazepane-1-carbonyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]thiophene-2-carboxamide CAS Name: N-cyclopropyl-N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[(4-fluorophenyl)-oxomethyl]-3-pyrrolidinyl]-2-thiophenecarboxamide IUPAC Name: N-cyclopropyl-N-[5-(1,4-diazepane-1-carbonyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]thiophene-2-carboxamide Traditional Name: N-cyclopropyl-N-[5-(1,4-diazepane-1-carbonyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]thiophene-2-carboxamide Formula: C25H29FN4O3S MolecularWeight: 484.586163

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CC=C(C=C3)F)N(C4CC4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CC=C(C=C3)F)N(C4CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H29FN4O3S/c26-18-6-4-17(5-7-18)23(31)29-16-20(15-21(29)24(32)28-12-2-10-27-11-13-28)30(19-8-9-19)25(33)22-3-1-14-34-22/h1,3-7,14,19-21,27H,2,8-13,15-16H2