1-(phenylmethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]phthalazine

Systemtic Name: 1-(phenylmethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]phthalazine Openeye Name: 1-benzyl-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]phthalazine CAS Name: 1-(phenylmethyl)-4-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinyl]phthalazine IUPAC Name: 1-benzyl-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]phthalazine Traditional Name: 1-benzyl-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazino]phthalazine Formula: C24H21F3N6 MolecularWeight: 450.45895

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4)C5=NC=CC(=N5)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4)C5=NC=CC(=N5)C(F)(F)F

InChI

InChI=1S/C24H21F3N6/c25-24(26,27)21-10-11-28-23(29-21)33-14-12-32(13-15-33)22-19-9-5-4-8-18(19)20(30-31-22)16-17-6-2-1-3-7-17/h1-11H,12-16H2