ethyl 5,7-dimethyl-2,4-bis(oxidanylidene)-1-[3-(4-phenethylpiperazin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-6-carboxylate dihydrochloride

Systemtic Name: ethyl 5,7-dimethyl-2,4-bis(oxidanylidene)-1-[3-(4-phenethylpiperazin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-6-carboxylate dihydrochloride Openeye Name: ethyl 5,7-dimethyl-2,4-dioxo-1-[3-(4-phenethylpiperazin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-6-carboxylate dihydrochloride CAS Name: 5,7-dimethyl-2,4-dioxo-1-[3-(4-phenethyl-1-piperazinyl)propyl]-3-[2-(trifluoromethyl)phenyl]-6-quinazolinecarboxylic acid ethyl ester dihydrochloride IUPAC Name: ethyl 5,7-dimethyl-2,4-dioxo-1-[3-(4-phenethylpiperazin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-6-carboxylate dihydrochloride Traditional Name: 2,4-diketo-5,7-dimethyl-1-[3-(4-phenethylpiperazino)propyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-6-carboxylic acid ethyl ester dihydrochloride Formula: C35H41Cl2F3N4O4 MolecularWeight: 709.62565

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C1C)N(C(=O)N(C2=O)C3=CC=CC=C3C(F)(F)F)CCCN4CCN(CC4)CCC5=CC=CC=C5)C.Cl.Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1C)N(C(=O)N(C2=O)C3=CC=CC=C3C(F)(F)F)CCCN4CCN(CC4)CCC5=CC=CC=C5)C.Cl.Cl

InChI

InChI=1S/C35H39F3N4O4.2ClH/c1-4-46-33(44)30-24(2)23-29-31(25(30)3)32(43)42(28-14-9-8-13-27(28)35(36,37)38)34(45)41(29)17-10-16-39-19-21-40(22-20-39)18-15-26-11-6-5-7-12-26;;/h5-9,11-14,23H,4,10,15-22H2,1-3H3;2*1H