4-[[4-(1-tert-butyl-3-methyl-6-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1-tert-butyl-3-methyl-6-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1-tert-butyl-6-isopropyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(1-tert-butyl-3-methyl-6-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1-tert-butyl-6-isopropyl-3-methyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazino]methyl]benzonitrile Formula: C27H34N6O MolecularWeight: 458.59846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C(C)(C)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C(C)(C)C

InChI

InChI=1S/C27H34N6O/c1-18(2)23-15-22(24-19(3)30-33(25(24)29-23)27(4,5)6)26(34)32-13-11-31(12-14-32)17-21-9-7-20(16-28)8-10-21/h7-10,15,18H,11-14,17H2,1-6H3