4-[(5-cyano-2-fluoranyl-phenyl)-(1-methylpiperidin-4-yl)amino]-N,N-di(propan-2-yl)benzamide

Systemtic Name: 4-[(5-cyano-2-fluoranyl-phenyl)-(1-methylpiperidin-4-yl)amino]-N,N-di(propan-2-yl)benzamide Openeye Name: 4-(5-cyano-2-fluoro-N-(1-methyl-4-piperidyl)anilino)-N,N-diisopropyl-benzamide CAS Name: 4-(5-cyano-2-fluoro-N-(1-methyl-4-piperidinyl)anilino)-N,N-di(propan-2-yl)benzamide IUPAC Name: 4-(5-cyano-2-fluoro-N-(1-methylpiperidin-4-yl)anilino)-N,N-di(propan-2-yl)benzamide Traditional Name: 4-(5-cyano-2-fluoro-N-(1-methyl-4-piperidyl)anilino)-N,N-diisopropyl-benzamide Formula: C26H33FN4O MolecularWeight: 436.564823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)N(C2CCN(CC2)C)C3=C(C=CC(=C3)C#N)F

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)N(C2CCN(CC2)C)C3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C26H33FN4O/c1-18(2)30(19(3)4)26(32)21-7-9-22(10-8-21)31(23-12-14-29(5)15-13-23)25-16-20(17-28)6-11-24(25)27/h6-11,16,18-19,23H,12-15H2,1-5H3