N-(2,6-dimethylphenyl)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazino]acetamide Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C27H28N6O/c1-19-7-5-8-20(2)25(19)30-24(34)18-32-13-15-33(16-14-32)27-22-10-3-4-11-23(22)29-26(31-27)21-9-6-12-28-17-21/h3-12,17H,13-16,18H2,1-2H3,(H,30,34)