4-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-octan-2-yl]-4-oxidanylidene-butanamide

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-octan-2-yl]-4-oxidanylidene-butanamide Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-methylheptyl]-4-oxo-butanamide CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-N-[(2S)-octan-2-yl]-4-oxobutanamide IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-octan-2-yl]-4-oxobutanamide Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-4-keto-N-[(1S)-1-methylheptyl]butyramide Formula: C22H34ClN3O2 MolecularWeight: 407.97726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)CCC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)CCC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C22H34ClN3O2/c1-3-4-5-6-8-18(2)24-21(27)11-12-22(28)26-15-13-25(14-16-26)20-10-7-9-19(23)17-20/h7,9-10,17-18H,3-6,8,11-16H2,1-2H3,(H,24,27)/t18-/m0/s1