2-(4-chlorophenyl)-1-(6,7-dimethoxy-2-thiophen-2-yl-quinazolin-4-yl)-4H-1,3,4-benzotriazepin-5-one

Systemtic Name: 2-(4-chlorophenyl)-1-(6,7-dimethoxy-2-thiophen-2-yl-quinazolin-4-yl)-4H-1,3,4-benzotriazepin-5-one Openeye Name: 2-(4-chlorophenyl)-1-[6,7-dimethoxy-2-(2-thienyl)quinazolin-4-yl]-4H-1,3,4-benzotriazepin-5-one CAS Name: 2-(4-chlorophenyl)-1-(6,7-dimethoxy-2-thiophen-2-yl-4-quinazolinyl)-4H-1,3,4-benzotriazepin-5-one IUPAC Name: 2-(4-chlorophenyl)-1-(6,7-dimethoxy-2-thiophen-2-ylquinazolin-4-yl)-4H-1,3,4-benzotriazepin-5-one Traditional Name: 2-(4-chlorophenyl)-1-[6,7-dimethoxy-2-(2-thienyl)quinazolin-4-yl]-4H-1,3,4-benzotriazepin-5-one Formula: C28H20ClN5O3S MolecularWeight: 542.0081

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N4C5=CC=CC=C5C(=O)NN=C4C6=CC=C(C=C6)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N4C5=CC=CC=C5C(=O)NN=C4C6=CC=C(C=C6)Cl)OC

InChI

InChI=1S/C28H20ClN5O3S/c1-36-22-14-19-20(15-23(22)37-2)30-25(24-8-5-13-38-24)31-27(19)34-21-7-4-3-6-18(21)28(35)33-32-26(34)16-9-11-17(29)12-10-16/h3-15H,1-2H3,(H,33,35)