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

Systemtic Name: 4-tert-butyl-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]benzamide Formula: C26H34ClN3O2 MolecularWeight: 456.02006

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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=C(C=C3)C(C)(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H34ClN3O2/c1-18(2)16-24(31)30-14-12-29(13-15-30)23-11-10-21(17-22(23)27)28-25(32)19-6-8-20(9-7-19)26(3,4)5/h6-11,17-18H,12-16H2,1-5H3,(H,28,32)