1-[1-[6-(azepan-1-yl)-2-phenyl-pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]ethanone

Systemtic Name: 1-[1-[6-(azepan-1-yl)-2-phenyl-pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]ethanone Openeye Name: 1-[1-[6-(azepan-1-yl)-2-phenyl-pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]ethanone CAS Name: 1-[1-[6-(1-azepanyl)-2-phenyl-4-pyrimidinyl]-5-methyl-4-pyrazolyl]ethanone IUPAC Name: 1-[1-[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone Traditional Name: 1-[1-[6-(azepan-1-yl)-2-phenyl-pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]ethanone Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=NC(=N2)C3=CC=CC=C3)N4CCCCCC4)C(=O)C

Isomeric SMILES

CC1=C(C=NN1C2=CC(=NC(=N2)C3=CC=CC=C3)N4CCCCCC4)C(=O)C

InChI

InChI=1S/C22H25N5O/c1-16-19(17(2)28)15-23-27(16)21-14-20(26-12-8-3-4-9-13-26)24-22(25-21)18-10-6-5-7-11-18/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3