4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]-3-cyano-2-(cyclopropylmethyl)-5-(piperazin-1-ylmethyl)benzamide

Systemtic Name: 4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]-3-cyano-2-(cyclopropylmethyl)-5-(piperazin-1-ylmethyl)benzamide Openeye Name: 4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]-3-cyano-2-(cyclopropylmethyl)-5-(piperazin-1-ylmethyl)benzamide CAS Name: 4-[2-tert-butyl-6-(trifluoromethyl)-4-pyrimidinyl]-3-cyano-2-(cyclopropylmethyl)-5-(1-piperazinylmethyl)benzamide IUPAC Name: 4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]-3-cyano-2-(cyclopropylmethyl)-5-(piperazin-1-ylmethyl)benzamide Traditional Name: 4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]-3-cyano-2-(cyclopropylmethyl)-5-(piperazinomethyl)benzamide Formula: C26H31F3N6O MolecularWeight: 500.55915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CC(=N1)C(F)(F)F)C2=C(C=C(C(=C2C#N)CC3CC3)C(=O)N)CN4CCNCC4

Isomeric SMILES

CC(C)(C)C1=NC(=CC(=N1)C(F)(F)F)C2=C(C=C(C(=C2C#N)CC3CC3)C(=O)N)CN4CCNCC4

InChI

InChI=1S/C26H31F3N6O/c1-25(2,3)24-33-20(12-21(34-24)26(27,28)29)22-16(14-35-8-6-32-7-9-35)11-18(23(31)36)17(19(22)13-30)10-15-4-5-15/h11-12,15,32H,4-10,14H2,1-3H3,(H2,31,36)