3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-pyrimidin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-2-(3,5-dimethyl-1-pyrazolyl)-6-phenyl-4-pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-2-(3,5-dimethylpyrazol-1-yl)-6-phenyl-pyrimidin-4-one Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC(=CC(=O)N2CC(=O)N3CCCCCC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC(=CC(=O)N2CC(=O)N3CCCCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H27N5O2/c1-17-14-18(2)28(25-17)23-24-20(19-10-6-5-7-11-19)15-21(29)27(23)16-22(30)26-12-8-3-4-9-13-26/h5-7,10-11,14-15H,3-4,8-9,12-13,16H2,1-2H3