N-[2,5-dimethoxy-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]phenyl]benzamide

Systemtic Name: N-[2,5-dimethoxy-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]phenyl]benzamide Openeye Name: N-[2,5-dimethoxy-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]phenyl]benzamide CAS Name: N-[2,5-dimethoxy-4-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]phenyl]benzamide IUPAC Name: N-[2,5-dimethoxy-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]phenyl]benzamide Traditional Name: N-[2,5-dimethoxy-4-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]phenyl]benzamide Formula: C32H32N8O3 MolecularWeight: 576.64828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5)OC)NC(=O)C6=CC=CC=C6

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5)OC)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C32H32N8O3/c1-42-27-20-26(37-31(41)22-9-4-3-5-10-22)28(43-2)19-25(27)36-30-23-11-6-7-12-24(23)35-29(38-30)21-39-15-17-40(18-16-39)32-33-13-8-14-34-32/h3-14,19-20H,15-18,21H2,1-2H3,(H,37,41)(H,35,36,38)