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

Systemtic Name: 2-azanyl-4-[3-[(2-bromanylphenoxy)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxo-1-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-1-(3-pyridinyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-1-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C32H31BrN4O2 MolecularWeight: 583.51814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CN=CC=C4)N)C#N)C)COC5=CC=CC=C5Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CN=CC=C4)N)C#N)C)COC5=CC=CC=C5Br

InChI

InChI=1S/C32H31BrN4O2/c1-19-12-21(18-39-28-10-6-5-9-25(28)33)20(2)23(13-19)29-24(16-34)31(35)37(22-8-7-11-36-17-22)26-14-32(3,4)15-27(38)30(26)29/h5-13,17,29H,14-15,18,35H2,1-4H3