2-azanyl-4-[3-[(4-chloranyl-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(2-chloranylpyridin-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-[(4-chloranyl-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(2-chloranylpyridin-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(4-chloro-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(2-chloro-3-pyridyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl]-1-(2-chloro-3-pyridinyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl]-1-(2-chloropyridin-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(4-chloro-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(2-chloro-3-pyridyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H28Cl2N4O2 MolecularWeight: 559.48562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(N=CC=C4)Cl)N)C#N)C)COC5=C(C=C(C=C5)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(N=CC=C4)Cl)N)C#N)C)COC5=C(C=C(C=C5)Cl)C

InChI

InChI=1S/C31H28Cl2N4O2/c1-17-12-20(16-39-27-10-9-21(32)14-18(27)2)19(3)22(13-17)28-23(15-34)31(35)37(25-7-5-11-36-30(25)33)24-6-4-8-26(38)29(24)28/h5,7,9-14,28H,4,6,8,16,35H2,1-3H3