2-[(6,7-dimethoxyquinazolin-4-yl)amino]-5-piperidin-1-yl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[(6,7-dimethoxyquinazolin-4-yl)amino]-5-piperidin-1-yl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[(6,7-dimethoxyquinazolin-4-yl)amino]-5-(1-piperidyl)-1,4-benzoquinone CAS Name: 2-[(6,7-dimethoxy-4-quinazolinyl)amino]-5-(1-piperidinyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[(6,7-dimethoxyquinazolin-4-yl)amino]-5-piperidin-1-ylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[(6,7-dimethoxyquinazolin-4-yl)amino]-5-piperidino-p-benzoquinone Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=O)C(=CC3=O)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=O)C(=CC3=O)N4CCCCC4)OC

InChI

InChI=1S/C21H22N4O4/c1-28-19-8-13-14(10-20(19)29-2)22-12-23-21(13)24-15-9-18(27)16(11-17(15)26)25-6-4-3-5-7-25/h8-12H,3-7H2,1-2H3,(H,22,23,24)