2-[(2R)-1-(3,4-dimethylphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[(2R)-1-(3,4-dimethylphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[(2R)-1-(3,4-dimethylbenzoyl)-3-oxo-piperazin-2-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[(2R)-1-[(3,4-dimethylphenyl)-oxomethyl]-3-oxo-2-piperazinyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[(2R)-1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(2R)-1-(3,4-dimethylbenzoyl)-3-keto-piperazin-2-yl]-N-(4-fluorophenyl)acetamide Formula: C21H22FN3O3 MolecularWeight: 383.416083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCNC(=O)[C@H]2CC(=O)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H22FN3O3/c1-13-3-4-15(11-14(13)2)21(28)25-10-9-23-20(27)18(25)12-19(26)24-17-7-5-16(22)6-8-17/h3-8,11,18H,9-10,12H2,1-2H3,(H,23,27)(H,24,26)/t18-/m1/s1