3-[3-[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]indol-1-yl]propionitrile Formula: C24H18N6O2 MolecularWeight: 422.43872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)C4=CN(C5=CC=CC=C54)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)C4=CN(C5=CC=CC=C54)CCC#N

InChI

InChI=1S/C24H18N6O2/c25-11-6-12-28-14-20(18-9-4-5-10-21(18)28)22(31)15-29-16-26-23-19(24(29)32)13-27-30(23)17-7-2-1-3-8-17/h1-5,7-10,13-14,16H,6,12,15H2