3-[2-(4-ethanoyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 3-[2-(4-ethanoyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile Openeye Name: 3-[2-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile CAS Name: 3-[2-(4-acetyl-1,4-diazepan-1-yl)-4-pyrimidinyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile IUPAC Name: 3-[2-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile Traditional Name: 3-[2-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile Formula: C19H19N7O MolecularWeight: 361.40046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=NC=CC(=N2)C3=CNC4=C3C=C(C=N4)C#N

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=NC=CC(=N2)C3=CNC4=C3C=C(C=N4)C#N

InChI

InChI=1S/C19H19N7O/c1-13(27)25-5-2-6-26(8-7-25)19-21-4-3-17(24-19)16-12-23-18-15(16)9-14(10-20)11-22-18/h3-4,9,11-12H,2,5-8H2,1H3,(H,22,23)