N-(6-cyanopyridin-3-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(6-cyanopyridin-3-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Openeye Name: N-(6-cyano-3-pyridyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide CAS Name: N-(6-cyano-3-pyridinyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboxamide IUPAC Name: N-(6-cyanopyridin-3-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Traditional Name: N-(6-cyano-3-pyridyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Formula: C21H21N7O3 MolecularWeight: 419.43654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CN=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CN=C(C=C4)C#N)OC

InChI

InChI=1S/C21H21N7O3/c1-30-18-9-16-17(10-19(18)31-2)24-13-25-20(16)27-5-7-28(8-6-27)21(29)26-15-4-3-14(11-22)23-12-15/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,26,29)