N-[5-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-2-methyl-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[5-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-2-methyl-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[5-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-2-methyl-phenyl]-2-fluoro-benzamide CAS Name: N-[5-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]-2-methylphenyl]-2-fluorobenzamide IUPAC Name: N-[5-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]-2-fluorobenzamide Traditional Name: N-[5-[4-(4-cyanobenzyl)piperazine-1-carbonyl]-2-methyl-phenyl]-2-fluoro-benzamide Formula: C27H25FN4O2 MolecularWeight: 456.511403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H25FN4O2/c1-19-6-11-22(16-25(19)30-26(33)23-4-2-3-5-24(23)28)27(34)32-14-12-31(13-15-32)18-21-9-7-20(17-29)8-10-21/h2-11,16H,12-15,18H2,1H3,(H,30,33)