4-(4-cyanophenyl)-N-[4-fluoranyl-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide

Systemtic Name: 4-(4-cyanophenyl)-N-[4-fluoranyl-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide Openeye Name: 4-(4-cyanophenyl)-N-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide CAS Name: 4-(4-cyanophenyl)-N-[4-fluoro-3-(4-methyl-1-piperazinyl)phenyl]-3-methylbenzamide IUPAC Name: 4-(4-cyanophenyl)-N-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide Traditional Name: 4-(4-cyanophenyl)-N-[4-fluoro-3-(4-methylpiperazino)phenyl]-3-methyl-benzamide Formula: C26H25FN4O MolecularWeight: 428.501303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)N3CCN(CC3)C)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)N3CCN(CC3)C)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H25FN4O/c1-18-15-21(7-9-23(18)20-5-3-19(17-28)4-6-20)26(32)29-22-8-10-24(27)25(16-22)31-13-11-30(2)12-14-31/h3-10,15-16H,11-14H2,1-2H3,(H,29,32)