9-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Systemtic Name: 9-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Openeye Name: 9-oxo-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide CAS Name: 9-oxo-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide IUPAC Name: 9-oxo-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Traditional Name: 9-keto-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Formula: C25H18N4O2 MolecularWeight: 406.43602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5)C(=O)N2C1

InChI

InChI=1S/C25H18N4O2/c30-24(18-10-12-21-22(16-18)28-23-8-4-14-29(23)25(21)31)27-20-7-3-5-17(15-20)9-11-19-6-1-2-13-26-19/h1-3,5-7,10,12-13,15-16H,4,8,14H2,(H,27,30)