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

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]benzamide Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3O2/c1-16(2)14-21(27)26-12-10-25(11-13-26)20-9-8-18(15-19(20)23)24-22(28)17-6-4-3-5-7-17/h3-9,15-16H,10-14H2,1-2H3,(H,24,28)