4-[4-methoxy-3-(trifluoromethyl)phenyl]-6-piperazin-1-yl-pyrimidine-2-carbonitrile

Systemtic Name: 4-[4-methoxy-3-(trifluoromethyl)phenyl]-6-piperazin-1-yl-pyrimidine-2-carbonitrile Openeye Name: 4-[4-methoxy-3-(trifluoromethyl)phenyl]-6-piperazin-1-yl-pyrimidine-2-carbonitrile CAS Name: 4-[4-methoxy-3-(trifluoromethyl)phenyl]-6-(1-piperazinyl)-2-pyrimidinecarbonitrile IUPAC Name: 4-[4-methoxy-3-(trifluoromethyl)phenyl]-6-piperazin-1-ylpyrimidine-2-carbonitrile Traditional Name: 4-[4-methoxy-3-(trifluoromethyl)phenyl]-6-piperazino-pyrimidine-2-carbonitrile Formula: C17H16F3N5O MolecularWeight: 363.33705

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)C#N)N3CCNCC3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)C#N)N3CCNCC3)C(F)(F)F

InChI

InChI=1S/C17H16F3N5O/c1-26-14-3-2-11(8-12(14)17(18,19)20)13-9-16(24-15(10-21)23-13)25-6-4-22-5-7-25/h2-3,8-9,22H,4-7H2,1H3