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

Systemtic Name: 2-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]cyclohepta-2,4,6-trien-1-one Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-28-18-12-14-15(13-19(18)29-2)23-21(24-20(14)22)26-10-8-25(9-11-26)16-6-4-3-5-7-17(16)27/h3-7,12-13H,8-11H2,1-2H3,(H2,22,23,24)