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

Systemtic Name: 2-chloranyl-4-methyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 2-chloro-4-methyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 2-chloro-4-methyl-N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 2-chloro-4-methyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 2-chloro-N-[4-(4-isovalerylpiperazino)phenyl]-4-methyl-benzamide Formula: C23H28ClN3O2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)Cl

InChI

InChI=1S/C23H28ClN3O2/c1-16(2)14-22(28)27-12-10-26(11-13-27)19-7-5-18(6-8-19)25-23(29)20-9-4-17(3)15-21(20)24/h4-9,15-16H,10-14H2,1-3H3,(H,25,29)