4-(2-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]phthalazine-1-carboxamide

Systemtic Name: 4-(2-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]phthalazine-1-carboxamide Openeye Name: 4-(2-methyl-1-piperidyl)-N-[[3-(trifluoromethyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 4-(2-methyl-1-piperidinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 4-(2-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 4-(2-methylpiperidino)-N-[3-(trifluoromethyl)benzyl]phthalazine-1-carboxamide Formula: C23H23F3N4O MolecularWeight: 428.45013

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NN=C(C3=CC=CC=C32)C(=O)NCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC1CCCCN1C2=NN=C(C3=CC=CC=C32)C(=O)NCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H23F3N4O/c1-15-7-4-5-12-30(15)21-19-11-3-2-10-18(19)20(28-29-21)22(31)27-14-16-8-6-9-17(13-16)23(24,25)26/h2-3,6,8-11,13,15H,4-5,7,12,14H2,1H3,(H,27,31)