phenyl-[4-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: phenyl-[4-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: [4-(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: phenyl-[4-(1-phenyl-6-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: phenyl-[4-(1-phenyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: [4-(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenyl-methanone Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H28N6O/c1-19(2)23-28-24(22-18-27-32(25(22)29-23)21-12-7-4-8-13-21)30-14-9-15-31(17-16-30)26(33)20-10-5-3-6-11-20/h3-8,10-13,18-19H,9,14-17H2,1-2H3