4-(6,7-dimethoxyquinazolin-4-yl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-pyridylmethyl)piperazine-1-carboxamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(pyridin-4-ylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-pyridylmethyl)piperazine-1-carboxamide Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NCC4=CC=NC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NCC4=CC=NC=C4)OC

InChI

InChI=1S/C21H24N6O3/c1-29-18-11-16-17(12-19(18)30-2)24-14-25-20(16)26-7-9-27(10-8-26)21(28)23-13-15-3-5-22-6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,23,28)