2-(5-methyl-2-propan-2-yl-phenoxy)-N-[3-oxidanylidene-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]quinoxalin-2-yl]ethanamide

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenoxy)-N-[3-oxidanylidene-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]quinoxalin-2-yl]ethanamide Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[3-oxo-4-[[2-(3-pyridyl)-1-piperidyl]methyl]quinoxalin-2-yl]acetamide CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[3-oxo-4-[[2-(3-pyridinyl)-1-piperidinyl]methyl]-2-quinoxalinyl]acetamide IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[3-oxo-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]quinoxalin-2-yl]acetamide Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[3-keto-4-[[2-(3-pyridyl)piperidino]methyl]quinoxalin-2-yl]acetamide Formula: C31H35N5O3 MolecularWeight: 525.6413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC2=NC3=CC=CC=C3N(C2=O)CN4CCCCC4C5=CN=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC2=NC3=CC=CC=C3N(C2=O)CN4CCCCC4C5=CN=CC=C5

InChI

InChI=1S/C31H35N5O3/c1-21(2)24-14-13-22(3)17-28(24)39-19-29(37)34-30-31(38)36(27-12-5-4-10-25(27)33-30)20-35-16-7-6-11-26(35)23-9-8-15-32-18-23/h4-5,8-10,12-15,17-18,21,26H,6-7,11,16,19-20H2,1-3H3,(H,33,34,37)