(4-azanylquinazolin-2-yl)methyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl (3E)-3-(2-furylmethylene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: (3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: (3E)-3-(2-furfurylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C27H20N4O3 MolecularWeight: 448.4727

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C3N=C2C1=CC4=CC=CO4)C(=O)OCC5=NC6=CC=CC=C6C(=N5)N

Isomeric SMILES

C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=CC=CO4)C(=O)OCC5=NC6=CC=CC=C6C(=N5)N

InChI

InChI=1S/C27H20N4O3/c28-26-19-8-2-4-10-22(19)29-23(31-26)15-34-27(32)24-18-7-1-3-9-21(18)30-25-16(11-12-20(24)25)14-17-6-5-13-33-17/h1-10,13-14H,11-12,15H2,(H2,28,29,31)/b16-14+