4-methyl-1-[[3-methyl-5-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]methyl]-1,4-diazepan-5-one

Systemtic Name: 4-methyl-1-[[3-methyl-5-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]methyl]-1,4-diazepan-5-one Openeye Name: 4-methyl-1-[[3-methyl-5-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]methyl]-1,4-diazepan-5-one CAS Name: 4-methyl-1-[[3-methyl-5-[[4-(2-phenyl-3-pyrazolyl)-2-pyrimidinyl]amino]phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 4-methyl-1-[[3-methyl-5-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]methyl]-1,4-diazepan-5-one Traditional Name: 4-methyl-1-[3-methyl-5-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]benzyl]-1,4-diazepan-5-one Formula: C27H29N7O MolecularWeight: 467.56546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC=NN3C4=CC=CC=C4)CN5CCC(=O)N(CC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC=NN3C4=CC=CC=C4)CN5CCC(=O)N(CC5)C

InChI

InChI=1S/C27H29N7O/c1-20-16-21(19-33-13-10-26(35)32(2)14-15-33)18-22(17-20)30-27-28-11-8-24(31-27)25-9-12-29-34(25)23-6-4-3-5-7-23/h3-9,11-12,16-18H,10,13-15,19H2,1-2H3,(H,28,30,31)