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

Systemtic Name: N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethyl-benzamide Openeye Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethyl-benzamide CAS Name: N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-4-ethylbenzamide IUPAC Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethylbenzamide Traditional Name: N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]-4-ethyl-benzamide Formula: C24H30ClN3O2 MolecularWeight: 427.9669

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)CC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)CC(C)C

InChI

InChI=1S/C24H30ClN3O2/c1-4-18-5-7-19(8-6-18)24(30)26-21-16-20(25)9-10-22(21)27-11-13-28(14-12-27)23(29)15-17(2)3/h5-10,16-17H,4,11-15H2,1-3H3,(H,26,30)