1-dimethoxyphosphoryl-6-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)hexan-2-one

Systemtic Name: 1-dimethoxyphosphoryl-6-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)hexan-2-one Openeye Name: 1-dimethoxyphosphoryl-6-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)hexan-2-one CAS Name: 1-dimethoxyphosphoryl-6-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)-2-hexanone IUPAC Name: 1-dimethoxyphosphoryl-6-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)hexan-2-one Traditional Name: 1-dimethoxyphosphoryl-6-(6,7,8,9-tetrahydro-5H-pyrid[2,3-b]azepin-2-yl)hexan-2-one Formula: C17H27N2O4P MolecularWeight: 354.381041

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CC(=O)CCCCC1=NC2=C(CCCCN2)C=C1)OC

Isomeric SMILES

COP(=O)(CC(=O)CCCCC1=NC2=C(CCCCN2)C=C1)OC

InChI

InChI=1S/C17H27N2O4P/c1-22-24(21,23-2)13-16(20)9-4-3-8-15-11-10-14-7-5-6-12-18-17(14)19-15/h10-11H,3-9,12-13H2,1-2H3,(H,18,19)