dimethyl 6-(4-cyanophenyl)-5-phenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate

Systemtic Name: dimethyl 6-(4-cyanophenyl)-5-phenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate Openeye Name: dimethyl 6-(4-cyanophenyl)-5-phenyl-5,10b-dihydroisoxazolo[2,3-c]quinazoline-1,2-dicarboxylate CAS Name: 6-(4-cyanophenyl)-5-phenyl-5,10b-dihydroisoxazolo[2,3-c]quinazoline-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-(4-cyanophenyl)-5-phenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate Traditional Name: 6-(4-cyanophenyl)-5-phenyl-5,10b-dihydroisoxazolo[2,3-c]quinazoline-1,2-dicarboxylic acid dimethyl ester Formula: C27H21N3O5 MolecularWeight: 467.47274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(ON2C1C3=CC=CC=C3N(C2C4=CC=CC=C4)C5=CC=C(C=C5)C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(ON2C1C3=CC=CC=C3N(C2C4=CC=CC=C4)C5=CC=C(C=C5)C#N)C(=O)OC

InChI

InChI=1S/C27H21N3O5/c1-33-26(31)22-23-20-10-6-7-11-21(20)29(19-14-12-17(16-28)13-15-19)25(18-8-4-3-5-9-18)30(23)35-24(22)27(32)34-2/h3-15,23,25H,1-2H3