(4R)-1-(3-chloranyl-4-fluoranyl-phenyl)-5-oxidanylidene-4-pyridin-3-yl-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4R)-1-(3-chloranyl-4-fluoranyl-phenyl)-5-oxidanylidene-4-pyridin-3-yl-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4R)-1-(3-chloro-4-fluoro-phenyl)-5-oxo-4-(3-pyridyl)-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4R)-1-(3-chloro-4-fluorophenyl)-5-oxo-4-(3-pyridinyl)-2-(1-pyrrolyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4R)-1-(3-chloro-4-fluorophenyl)-5-oxo-4-pyridin-3-yl-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4R)-1-(3-chloro-4-fluoro-phenyl)-5-keto-4-(3-pyridyl)-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H18ClFN4O MolecularWeight: 444.888023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=CC(=C(C=C3)F)Cl)N4C=CC=C4)C#N)C5=CN=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C([C@@H](C(=C(N2C3=CC(=C(C=C3)F)Cl)N4C=CC=C4)C#N)C5=CN=CC=C5)C(=O)C1

InChI

InChI=1S/C25H18ClFN4O/c26-19-13-17(8-9-20(19)27)31-21-6-3-7-22(32)24(21)23(16-5-4-10-29-15-16)18(14-28)25(31)30-11-1-2-12-30/h1-2,4-5,8-13,15,23H,3,6-7H2/t23-/m1/s1