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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(4-fluorophenyl)carbonyl-pyrrolidin-3-yl]-N-phenethyl-cyclopropanecarboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenethyl-cyclopropanecarboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[(4-fluorophenyl)-oxomethyl]-3-pyrrolidinyl]-N-phenethylcyclopropanecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenethylcyclopropanecarboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenethyl-cyclopropanecarboxamide Formula: C29H35FN4O3 MolecularWeight: 506.611603

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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)C5CC5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CC=C(C=C3)F)N(CCC4=CC=CC=C4)C(=O)C5CC5

InChI

InChI=1S/C29H35FN4O3/c30-24-11-9-23(10-12-24)28(36)34-20-25(19-26(34)29(37)32-16-4-14-31-15-18-32)33(27(35)22-7-8-22)17-13-21-5-2-1-3-6-21/h1-3,5-6,9-12,22,25-26,31H,4,7-8,13-20H2