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

Systemtic Name: 2-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-4-piperazin-1-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperazin-1-yl-cyclohepta-2,4,6-trien-1-one CAS Name: 2-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(1-piperazinyl)-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-piperazin-1-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-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)C3=CC(=CC=CC3=O)N4CCNCC4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC(=CC=CC3=O)N4CCNCC4)N)OC

InChI

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