3-[1-[2,4-bis(trifluoromethyl)phenyl]phthalazin-6-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[1-[2,4-bis(trifluoromethyl)phenyl]phthalazin-6-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[1-[2,4-bis(trifluoromethyl)phenyl]phthalazin-6-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[1-[2,4-bis(trifluoromethyl)phenyl]-6-phthalazinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[1-[2,4-bis(trifluoromethyl)phenyl]phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[1-[2,4-bis(trifluoromethyl)phenyl]phthalazin-6-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C27H19F6N3O MolecularWeight: 515.449679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=CN=NC(=C4C=C3)C5=C(C=C(C=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=CN=NC(=C4C=C3)C5=C(C=C(C=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H19F6N3O/c1-14-2-3-16(25(37)35-19-6-7-19)11-22(14)15-4-8-20-17(10-15)13-34-36-24(20)21-9-5-18(26(28,29)30)12-23(21)27(31,32)33/h2-5,8-13,19H,6-7H2,1H3,(H,35,37)