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

Systemtic Name: 2-azanyl-4-[5-[(2-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-1-(4-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-1-(4-fluorophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C33H31BrFN3O2 MolecularWeight: 600.520543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)F)N)C#N)COC5=CC=CC=C5Br)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)F)N)C#N)COC5=CC=CC=C5Br)C

InChI

InChI=1S/C33H31BrFN3O2/c1-19-13-20(2)24(14-21(19)18-40-29-8-6-5-7-26(29)34)30-25(17-36)32(37)38(23-11-9-22(35)10-12-23)27-15-33(3,4)16-28(39)31(27)30/h5-14,30H,15-16,18,37H2,1-4H3