N-[(4-fluorophenyl)methyl]-5-(3-methylbutanoylamino)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-5-(3-methylbutanoylamino)-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[(4-fluorophenyl)methyl]-5-(3-methylbutanoylamino)-2-pyrrolidin-1-yl-benzamide CAS Name: N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1-oxobutyl)amino]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(4-fluorophenyl)methyl]-5-(3-methylbutanoylamino)-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(4-fluorobenzyl)-5-(isovalerylamino)-2-pyrrolidino-benzamide Formula: C23H28FN3O2 MolecularWeight: 397.485723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O2/c1-16(2)13-22(28)26-19-9-10-21(27-11-3-4-12-27)20(14-19)23(29)25-15-17-5-7-18(24)8-6-17/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,25,29)(H,26,28)