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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCCCC3)C(F)(F)F)C4=CC5=CN=NC=C5C=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCCCC3)C(F)(F)F)C4=CC5=CN=NC=C5C=C4

InChI

InChI=1S/C29H27F3N4O/c1-19-5-6-21(14-26(19)20-7-8-22-16-33-34-17-24(22)13-20)28(37)35-25-10-9-23(27(15-25)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)