4-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-piperidyl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-piperidinyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidino]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H37N7O MolecularWeight: 475.62898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCC(C3)NC4=NC=CC(=N4)N5CCCCCC5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCC(C3)NC4=NC=CC(=N4)N5CCCCCC5

InChI

InChI=1S/C27H37N7O/c1-21-24(26(35)34(31(21)2)23-12-6-5-7-13-23)20-32-16-10-11-22(19-32)29-27-28-15-14-25(30-27)33-17-8-3-4-9-18-33/h5-7,12-15,22H,3-4,8-11,16-20H2,1-2H3,(H,28,29,30)