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

Systemtic Name: 3-methyl-1-[4-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 1-[4-(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[4-(1-phenyl-6-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 3-methyl-1-[4-(1-phenyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Traditional Name: 1-[4-(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one Formula: C24H32N6O MolecularWeight: 420.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C(C)C

Isomeric SMILES

CC(C)CC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C24H32N6O/c1-17(2)15-21(31)28-11-8-12-29(14-13-28)23-20-16-25-30(19-9-6-5-7-10-19)24(20)27-22(26-23)18(3)4/h5-7,9-10,16-18H,8,11-15H2,1-4H3