N-(4-cyanophenyl)-4-(7-methoxy-6-oxidanyl-quinazolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(4-cyanophenyl)-4-(7-methoxy-6-oxidanyl-quinazolin-4-yl)piperazine-1-carboxamide Openeye Name: N-(4-cyanophenyl)-4-(6-hydroxy-7-methoxy-quinazolin-4-yl)piperazine-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-(6-hydroxy-7-methoxy-4-quinazolinyl)-1-piperazinecarboxamide IUPAC Name: N-(4-cyanophenyl)-4-(6-hydroxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxamide Traditional Name: N-(4-cyanophenyl)-4-(6-hydroxy-7-methoxy-quinazolin-4-yl)piperazine-1-carboxamide Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C#N)O

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C21H20N6O3/c1-30-19-11-17-16(10-18(19)28)20(24-13-23-17)26-6-8-27(9-7-26)21(29)25-15-4-2-14(12-22)3-5-15/h2-5,10-11,13,28H,6-9H2,1H3,(H,25,29)