N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methyl-butanamide Openeye Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methyl-butanamide CAS Name: N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-methylbutanamide IUPAC Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methylbutanamide Traditional Name: N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]-3-methyl-butyramide Formula: C20H30ClN3O2 MolecularWeight: 379.9241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C=CC(=C1)Cl)N2CCN(CC2)C(=O)CC(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=C(C=CC(=C1)Cl)N2CCN(CC2)C(=O)CC(C)C

InChI

InChI=1S/C20H30ClN3O2/c1-14(2)11-19(25)22-17-13-16(21)5-6-18(17)23-7-9-24(10-8-23)20(26)12-15(3)4/h5-6,13-15H,7-12H2,1-4H3,(H,22,25)