4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-cycloheptyl-6-[3-(1-piperidyl)propyl]pyrimidine-2-carbonitrile; 2,2,2-trifluoroacetic acid CAS Name: 4-cycloheptyl-6-[3-(1-piperidinyl)propyl]-2-pyrimidinecarbonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile; 2,2,2-trifluoroacetic acid Traditional Name: 4-cycloheptyl-6-(3-piperidinopropyl)pyrimidine-2-carbonitrile; 2,2,2-trifluoroacetic acid Formula: C22H31F3N4O2 MolecularWeight: 440.50235

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2=CC(=NC(=N2)C#N)CCCN3CCCCC3.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CCCC(CC1)C2=CC(=NC(=N2)C#N)CCCN3CCCCC3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H30N4.C2HF3O2/c21-16-20-22-18(11-8-14-24-12-6-3-7-13-24)15-19(23-20)17-9-4-1-2-5-10-17;3-2(4,5)1(6)7/h15,17H,1-14H2;(H,6,7)