2-bromanyl-3-(5-isocyano-6-morpholin-2-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzenecarbonitrile

Systemtic Name: 2-bromanyl-3-(5-isocyano-6-morpholin-2-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzenecarbonitrile Openeye Name: 2-bromo-3-(5-isocyano-6-morpholin-2-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile CAS Name: 2-bromo-3-[5-isocyano-6-(2-morpholinyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile IUPAC Name: 2-bromo-3-(5-isocyano-6-morpholin-2-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile Traditional Name: 2-bromo-3-(5-isocyano-6-morpholin-2-yl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile Formula: C18H15BrN6O MolecularWeight: 411.2553

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(N=C2C(=CNN2)C1C3=CC=CC(=C3Br)C#N)C4CNCCO4

Isomeric SMILES

[C-]#[N+]C1=C(N=C2C(=CNN2)C1C3=CC=CC(=C3Br)C#N)C4CNCCO4

InChI

InChI=1S/C18H15BrN6O/c1-21-17-14(11-4-2-3-10(7-20)15(11)19)12-8-23-25-18(12)24-16(17)13-9-22-5-6-26-13/h2-4,8,13-14,22H,5-6,9H2,(H2,23,24,25)