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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(4-fluorophenyl)carbonyl-pyrrolidin-3-yl]-4-methoxy-N-phenethyl-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-4-methoxy-N-phenethyl-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[(4-fluorophenyl)-oxomethyl]-3-pyrrolidinyl]-4-methoxy-N-phenethylbenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-4-methoxy-N-phenethylbenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-4-methoxy-N-phenethyl-benzamide Formula: C33H37FN4O4 MolecularWeight: 572.669683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)F)C(=O)N5CCCNCC5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)F)C(=O)N5CCCNCC5

InChI

InChI=1S/C33H37FN4O4/c1-42-29-14-10-26(11-15-29)31(39)37(20-16-24-6-3-2-4-7-24)28-22-30(33(41)36-19-5-17-35-18-21-36)38(23-28)32(40)25-8-12-27(34)13-9-25/h2-4,6-15,28,30,35H,5,16-23H2,1H3