5-(4-ethynyl-8-pyridin-3-yl-imidazo[4,5-c]quinolin-1-yl)-2-(2-oxidanylidenepyrrolidin-1-yl)benzenecarbonitrile

Systemtic Name: 5-(4-ethynyl-8-pyridin-3-yl-imidazo[4,5-c]quinolin-1-yl)-2-(2-oxidanylidenepyrrolidin-1-yl)benzenecarbonitrile Openeye Name: 5-[4-ethynyl-8-(3-pyridyl)imidazo[4,5-c]quinolin-1-yl]-2-(2-oxopyrrolidin-1-yl)benzonitrile CAS Name: 5-[4-ethynyl-8-(3-pyridinyl)-1-imidazo[4,5-c]quinolinyl]-2-(2-oxo-1-pyrrolidinyl)benzonitrile IUPAC Name: 5-(4-ethynyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)-2-(2-oxopyrrolidin-1-yl)benzonitrile Traditional Name: 5-[4-ethynyl-8-(3-pyridyl)imidazo[4,5-c]quinolin-1-yl]-2-(2-ketopyrrolidino)benzonitrile Formula: C28H18N6O MolecularWeight: 454.48212

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C2C(=C3C=C(C=CC3=N1)C4=CN=CC=C4)N(C=N2)C5=CC(=C(C=C5)N6CCCC6=O)C#N

Isomeric SMILES

C#CC1=C2C(=C3C=C(C=CC3=N1)C4=CN=CC=C4)N(C=N2)C5=CC(=C(C=C5)N6CCCC6=O)C#N

InChI

InChI=1S/C28H18N6O/c1-2-23-27-28(22-14-18(7-9-24(22)32-23)19-5-3-11-30-16-19)34(17-31-27)21-8-10-25(20(13-21)15-29)33-12-4-6-26(33)35/h1,3,5,7-11,13-14,16-17H,4,6,12H2