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

Systemtic Name: 4-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[[4-(4-azepanyl)-2-pyrimidinyl]amino]-(1-azetidinyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C25H33N7O MolecularWeight: 447.57582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(NC3=NC=CC(=N3)C4CCCNCC4)N5CCC5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(NC3=NC=CC(=N3)C4CCCNCC4)N5CCC5

InChI

InChI=1S/C25H33N7O/c1-18-22(24(33)32(30(18)2)20-9-4-3-5-10-20)23(31-16-7-17-31)29-25-27-15-12-21(28-25)19-8-6-13-26-14-11-19/h3-5,9-10,12,15,19,23,26H,6-8,11,13-14,16-17H2,1-2H3,(H,27,28,29)