1,3-benzodioxol-5-yl-[4-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(1-phenyl-6-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(1-phenyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C27H28N6O3 MolecularWeight: 484.54962

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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=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H28N6O3/c1-18(2)24-29-25(21-16-28-33(26(21)30-24)20-7-4-3-5-8-20)31-11-6-12-32(14-13-31)27(34)19-9-10-22-23(15-19)36-17-35-22/h3-5,7-10,15-16,18H,6,11-14,17H2,1-2H3