N-(3-cyanophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(3-cyanophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide CAS Name: N-(3-cyanophenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(3-cyanophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propionamide Formula: C20H22N8O MolecularWeight: 390.44168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C20H22N8O/c1-14(20(29)25-16-5-3-4-15(10-16)11-21)27-6-8-28(9-7-27)19-17-12-24-26(2)18(17)22-13-23-19/h3-5,10,12-14H,6-9H2,1-2H3,(H,25,29)