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

Systemtic Name: N-(4-methyl-3-phthalazin-6-yl-phenyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide Openeye Name: N-(4-methyl-3-phthalazin-6-yl-phenyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide CAS Name: N-[4-methyl-3-(6-phthalazinyl)phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-(4-methyl-3-phthalazin-6-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide Traditional Name: N-(4-methyl-3-phthalazin-6-yl-phenyl)-4-[(4-methylpiperazino)methyl]-3-(trifluoromethyl)benzamide Formula: C29H28F3N5O MolecularWeight: 519.56073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)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)CN3CCN(CC3)C)C(F)(F)F)C4=CC5=CN=NC=C5C=C4

InChI

InChI=1S/C29H28F3N5O/c1-19-3-8-25(15-26(19)20-4-6-22-16-33-34-17-24(22)13-20)35-28(38)21-5-7-23(27(14-21)29(30,31)32)18-37-11-9-36(2)10-12-37/h3-8,13-17H,9-12,18H2,1-2H3,(H,35,38)