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

Systemtic Name: 1-(6,7-dimethoxy-2-thiophen-2-yl-quinazolin-4-yl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-one Openeye Name: 1-[6,7-dimethoxy-2-(2-thienyl)quinazolin-4-yl]-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-one CAS Name: 1-(6,7-dimethoxy-2-thiophen-2-yl-4-quinazolinyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-one IUPAC Name: 1-(6,7-dimethoxy-2-thiophen-2-ylquinazolin-4-yl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-one Traditional Name: 1-[6,7-dimethoxy-2-(2-thienyl)quinazolin-4-yl]-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-one Formula: C29H23N5O4S MolecularWeight: 537.58902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=CC(=C(C=C54)OC)OC)C6=CC=CS6

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=CC(=C(C=C54)OC)OC)C6=CC=CS6

InChI

InChI=1S/C29H23N5O4S/c1-36-18-12-10-17(11-13-18)27-32-33-29(35)19-7-4-5-8-22(19)34(27)28-20-15-23(37-2)24(38-3)16-21(20)30-26(31-28)25-9-6-14-39-25/h4-16H,1-3H3,(H,33,35)