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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(4-fluorophenyl)carbonyl-pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[(4-fluorophenyl)-oxomethyl]-3-pyrrolidinyl]-N-phenethyl-2-thiophenecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenethylthiophene-2-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide Formula: C30H33FN4O3S MolecularWeight: 548.671423

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CC=C(C=C3)F)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CC=C(C=C3)F)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C30H33FN4O3S/c31-24-11-9-23(10-12-24)28(36)35-21-25(20-26(35)29(37)33-16-5-14-32-15-18-33)34(30(38)27-8-4-19-39-27)17-13-22-6-2-1-3-7-22/h1-4,6-12,19,25-26,32H,5,13-18,20-21H2