N-[(4-fluorophenyl)methyl]-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[(4-fluorophenyl)methyl]-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-yl-benzamide CAS Name: N-[(4-fluorophenyl)methyl]-5-[(1-oxo-2-phenylbutyl)amino]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(4-fluorophenyl)methyl]-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(4-fluorobenzyl)-5-(2-phenylbutanoylamino)-2-pyrrolidino-benzamide Formula: C28H30FN3O2 MolecularWeight: 459.555103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C28H30FN3O2/c1-2-24(21-8-4-3-5-9-21)28(34)31-23-14-15-26(32-16-6-7-17-32)25(18-23)27(33)30-19-20-10-12-22(29)13-11-20/h3-5,8-15,18,24H,2,6-7,16-17,19H2,1H3,(H,30,33)(H,31,34)