3-[4-(1,3-dimethyl-5-propan-2-yl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(1,3-dimethyl-5-propan-2-yl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(5-isopropyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(1,3-dimethyl-5-propan-2-yl-7-pyrazolo[4,3-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(5-isopropyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile Formula: C22H25N7O MolecularWeight: 403.4802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N=C2N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N)C(C)C)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N=C2N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N)C(C)C)C

InChI

InChI=1S/C22H25N7O/c1-14(2)20-24-18-15(3)26-27(4)19(18)21(25-20)28-8-10-29(11-9-28)22(30)17-7-5-6-16(12-17)13-23/h5-7,12,14H,8-11H2,1-4H3