2-[4-(phenylmethyl)piperazin-1-yl]-4,6-bis(trifluoromethyl)pyrimidine

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]-4,6-bis(trifluoromethyl)pyrimidine Openeye Name: 2-(4-benzylpiperazin-1-yl)-4,6-bis(trifluoromethyl)pyrimidine CAS Name: 2-[4-(phenylmethyl)-1-piperazinyl]-4,6-bis(trifluoromethyl)pyrimidine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4,6-bis(trifluoromethyl)pyrimidine Traditional Name: 2-(4-benzylpiperazino)-4,6-bis(trifluoromethyl)pyrimidine Formula: C17H16F6N4 MolecularWeight: 390.326159

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=CC(=N3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=CC(=N3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H16F6N4/c18-16(19,20)13-10-14(17(21,22)23)25-15(24-13)27-8-6-26(7-9-27)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2