2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-(2,5-dimethyl-3-thienyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(2,5-dimethyl-3-thiophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-(2,5-dimethyl-3-thienyl)-5-keto-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C28H23BrFN3OS MolecularWeight: 548.469123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CC(C3)C4=CC=CC=C4)C5=C(C=C(C=C5)Br)F)N)C#N

Isomeric SMILES

CC1=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CC(C3)C4=CC=CC=C4)C5=C(C=C(C=C5)Br)F)N)C#N

InChI

InChI=1S/C28H23BrFN3OS/c1-15-10-20(16(2)35-15)26-21(14-31)28(32)33(23-9-8-19(29)13-22(23)30)24-11-18(12-25(34)27(24)26)17-6-4-3-5-7-17/h3-10,13,18,26H,11-12,32H2,1-2H3