ethyl 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]cyclohex-3-ene-1-carboxylate CAS Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)-7-quinazolinyl]-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]cyclohex-3-ene-1-carboxylate Traditional Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(=CC1)C2=C(C3=NC(=NC=C3C(=C2)C4=CC(=CC=C4)Cl)NC)OC

Isomeric SMILES

CCOC(=O)C1CCC(=CC1)C2=C(C3=NC(=NC=C3C(=C2)C4=CC(=CC=C4)Cl)NC)OC

InChI

InChI=1S/C25H26ClN3O3/c1-4-32-24(30)16-10-8-15(9-11-16)20-13-19(17-6-5-7-18(26)12-17)21-14-28-25(27-2)29-22(21)23(20)31-3/h5-8,12-14,16H,4,9-11H2,1-3H3,(H,27,28,29)