1-[2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-pyrimidin-4-yl]azepane

Systemtic Name: 1-[2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-pyrimidin-4-yl]azepane Openeye Name: 1-[2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-pyrimidin-4-yl]azepane CAS Name: 1-[2-(3,5-dimethyl-1-pyrazolyl)-6-phenyl-4-pyrimidinyl]azepane IUPAC Name: 1-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]azepane Traditional Name: 1-[2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-pyrimidin-4-yl]azepane Formula: C21H25N5 MolecularWeight: 347.4567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC(=CC(=N2)N3CCCCCC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC(=CC(=N2)N3CCCCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5/c1-16-14-17(2)26(24-16)21-22-19(18-10-6-5-7-11-18)15-20(23-21)25-12-8-3-4-9-13-25/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3