3-[4-(1,3,5-trimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(1,3,5-trimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(1,3,5-trimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-(1,3,5-trimethyl-7-pyrazolo[4,3-d]pyrimidinyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-(1,3,5-trimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(1,3,5-trimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile Formula: C20H21N7O MolecularWeight: 375.42704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O/c1-13-17-18(25(3)24-13)19(23-14(2)22-17)26-7-9-27(10-8-26)20(28)16-6-4-5-15(11-16)12-21/h4-6,11H,7-10H2,1-3H3