2-azanyl-4-[5-[(4-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-1-(3-fluorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[5-[(4-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-1-(3-fluorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-[(4-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-1-(3-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl]-1-(3-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl]-1-(3-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[(4-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-1-(3-fluorophenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H27BrFN3O2 MolecularWeight: 572.467383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)F)N)C#N)COC5=CC=C(C=C5)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)F)N)C#N)COC5=CC=C(C=C5)Br)C

InChI

InChI=1S/C31H27BrFN3O2/c1-18-13-19(2)25(14-20(18)17-38-24-11-9-21(32)10-12-24)29-26(16-34)31(35)36(23-6-3-5-22(33)15-23)27-7-4-8-28(37)30(27)29/h3,5-6,9-15,29H,4,7-8,17,35H2,1-2H3