3-[2-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

Systemtic Name: 3-[2-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile Openeye Name: 3-[2-(4-benzoyl-2-methyl-piperazin-1-yl)-2-oxo-acetyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile CAS Name: 3-[2-(4-benzoyl-2-methyl-1-piperazinyl)-1,2-dioxoethyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile IUPAC Name: 3-[2-(4-benzoyl-2-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile Traditional Name: 3-[2-(4-benzoyl-2-methyl-piperazino)-2-keto-acetyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(=O)C2=CNC3=C2C=CC(=N3)C#N)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)C(=O)C2=CNC3=C2C=CC(=N3)C#N)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O3/c1-14-13-26(21(29)15-5-3-2-4-6-15)9-10-27(14)22(30)19(28)18-12-24-20-17(18)8-7-16(11-23)25-20/h2-8,12,14H,9-10,13H2,1H3,(H,24,25)