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

Systemtic Name: 2-azanyl-4-[3-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(4-methoxy-2-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(2-chloro-4-fluoro-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(4-methoxy-2-nitro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[(2-chloro-4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-1-(4-methoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(2-chloro-4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-1-(4-methoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(2-chloro-4-fluoro-phenoxy)methyl]-2,5-dimethyl-phenyl]-5-keto-1-(4-methoxy-2-nitro-phenyl)-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C34H32ClFN4O5 MolecularWeight: 631.093083

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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)OC)[N+](=O)[O-])N)C#N)C)COC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C34H32ClFN4O5/c1-18-10-20(17-45-30-9-6-21(36)12-25(30)35)19(2)23(11-18)31-24(16-37)33(38)39(28-14-34(3,4)15-29(41)32(28)31)26-8-7-22(44-5)13-27(26)40(42)43/h6-13,31H,14-15,17,38H2,1-5H3