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

Systemtic Name: 2-azanyl-1-(4-chloranyl-2-nitro-phenyl)-4-[3-[(4-fluoranylphenoxy)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-chloro-2-nitro-phenyl)-4-[3-[(4-fluorophenoxy)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(4-chloro-2-nitrophenyl)-4-[3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-chloro-2-nitrophenyl)-4-[3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-chloro-2-nitro-phenyl)-4-[3-[(4-fluorophenoxy)methyl]-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C33H30ClFN4O4 MolecularWeight: 601.067103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])N)C#N)C)COC5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])N)C#N)C)COC5=CC=C(C=C5)F

InChI

InChI=1S/C33H30ClFN4O4/c1-18-11-20(17-43-23-8-6-22(35)7-9-23)19(2)24(12-18)30-25(16-36)32(37)38(26-10-5-21(34)13-27(26)39(41)42)28-14-33(3,4)15-29(40)31(28)30/h5-13,30H,14-15,17,37H2,1-4H3