2-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-chloranyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-chloranyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-chloro-cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-5-chloro-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-chlorocyclohepta-2,4,6-trien-1-one Traditional Name: 2-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-5-chloro-cyclohepta-2,4,6-trien-1-one Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=CC=C(C=CC4=O)Cl)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=CC=C(C=CC4=O)Cl)N)OC

InChI

InChI=1S/C21H22ClN5O3/c1-29-18-11-14-15(12-19(18)30-2)24-21(25-20(14)23)27-9-7-26(8-10-27)16-5-3-13(22)4-6-17(16)28/h3-6,11-12H,7-10H2,1-2H3,(H2,23,24,25)