1-methyl-4-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[2-(4-pyridyl)quinazolin-4-yl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-(2-pyridin-4-yl-4-quinazolinyl)-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[2-(4-pyridyl)quinazolin-4-yl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C23H23N7O3S MolecularWeight: 477.53882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C23H23N7O3S/c1-28-15-17(14-20(28)21(24)31)34(32,33)30-12-10-29(11-13-30)23-18-4-2-3-5-19(18)26-22(27-23)16-6-8-25-9-7-16/h2-9,14-15H,10-13H2,1H3,(H2,24,31)