N-(4-methyl-3-phthalazin-6-yl-phenyl)-4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide

Systemtic Name: N-(4-methyl-3-phthalazin-6-yl-phenyl)-4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide Openeye Name: N-(4-methyl-3-phthalazin-6-yl-phenyl)-4-(1-piperidylmethyl)-3-(trifluoromethyl)benzamide CAS Name: N-[4-methyl-3-(6-phthalazinyl)phenyl]-4-(1-piperidinylmethyl)-3-(trifluoromethyl)benzamide IUPAC Name: N-(4-methyl-3-phthalazin-6-ylphenyl)-4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide Traditional Name: N-(4-methyl-3-phthalazin-6-yl-phenyl)-4-(piperidinomethyl)-3-(trifluoromethyl)benzamide Formula: C29H27F3N4O MolecularWeight: 504.54609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCCCC3)C(F)(F)F)C4=CC5=CN=NC=C5C=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCCCC3)C(F)(F)F)C4=CC5=CN=NC=C5C=C4

InChI

InChI=1S/C29H27F3N4O/c1-19-5-10-25(15-26(19)20-6-8-22-16-33-34-17-24(22)13-20)35-28(37)21-7-9-23(27(14-21)29(30,31)32)18-36-11-3-2-4-12-36/h5-10,13-17H,2-4,11-12,18H2,1H3,(H,35,37)