N'-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene-azepan-3-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide

Systemtic Name: N'-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene-azepan-3-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-[1-[(4-fluorophenyl)methyl]-2-oxo-azepan-3-yl]-3-isobutyl-butanediamide CAS Name: N'-[1-[(4-fluorophenyl)methyl]-2-oxo-3-azepanyl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[1-[(4-fluorophenyl)methyl]-2-oxoazepan-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[1-(4-fluorobenzyl)-2-keto-azepan-3-yl]-3-isobutyl-succinamide Formula: C24H34FN3O3 MolecularWeight: 431.543463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1CCCCN(C1=O)CC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1CCCCN(C1=O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C24H34FN3O3/c1-4-7-19(22(26)29)20(14-16(2)3)23(30)27-21-8-5-6-13-28(24(21)31)15-17-9-11-18(25)12-10-17/h4,9-12,16,19-21H,1,5-8,13-15H2,2-3H3,(H2,26,29)(H,27,30)