4-[3-[4-(1-methylpyrazol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]pyrrolo[2,3-b]pyridin-1-yl]butanenitrile

Systemtic Name: 4-[3-[4-(1-methylpyrazol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]pyrrolo[2,3-b]pyridin-1-yl]butanenitrile Openeye Name: 4-[3-[4-(1-methylpyrazol-3-yl)-2,5-dioxo-pyrrol-3-yl]pyrrolo[2,3-b]pyridin-1-yl]butanenitrile CAS Name: 4-[3-[4-(1-methyl-3-pyrazolyl)-2,5-dioxo-3-pyrrolyl]-1-pyrrolo[2,3-b]pyridinyl]butanenitrile IUPAC Name: 4-[3-[4-(1-methylpyrazol-3-yl)-2,5-dioxopyrrol-3-yl]pyrrolo[2,3-b]pyridin-1-yl]butanenitrile Traditional Name: 4-[3-[2,5-diketo-4-(1-methylpyrazol-3-yl)-3-pyrrolin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]butyronitrile Formula: C19H16N6O2 MolecularWeight: 360.36934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C2=C(C(=O)NC2=O)C3=CN(C4=C3C=CC=N4)CCCC#N

Isomeric SMILES

CN1C=CC(=N1)C2=C(C(=O)NC2=O)C3=CN(C4=C3C=CC=N4)CCCC#N

InChI

InChI=1S/C19H16N6O2/c1-24-10-6-14(23-24)16-15(18(26)22-19(16)27)13-11-25(9-3-2-7-20)17-12(13)5-4-8-21-17/h4-6,8,10-11H,2-3,9H2,1H3,(H,22,26,27)