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

Systemtic Name: N-[1-[4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-3-methyl-butan-2-yl]-4-methyl-benzamide Openeye Name: N-[1-[[4-[(3-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]methyl]-2-methyl-propyl]-4-methyl-benzamide CAS Name: N-[1-[4-[(3-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-3-methylbutan-2-yl]-4-methylbenzamide IUPAC Name: N-[1-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-3-methylbutan-2-yl]-4-methylbenzamide Traditional Name: N-[1-[[4-(3-chloro-4-fluoro-benzyl)piperazino]methyl]-2-methyl-propyl]-4-methyl-benzamide Formula: C24H31ClFN3O MolecularWeight: 431.973843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CN2CCN(CC2)CC3=CC(=C(C=C3)F)Cl)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CN2CCN(CC2)CC3=CC(=C(C=C3)F)Cl)C(C)C

InChI

InChI=1S/C24H31ClFN3O/c1-17(2)23(27-24(30)20-7-4-18(3)5-8-20)16-29-12-10-28(11-13-29)15-19-6-9-22(26)21(25)14-19/h4-9,14,17,23H,10-13,15-16H2,1-3H3,(H,27,30)