1-(2,6-dimethoxypyrimidin-4-yl)-4-phenyl-azepane

Systemtic Name: 1-(2,6-dimethoxypyrimidin-4-yl)-4-phenyl-azepane Openeye Name: 1-(2,6-dimethoxypyrimidin-4-yl)-4-phenyl-azepane CAS Name: 1-(2,6-dimethoxy-4-pyrimidinyl)-4-phenylazepane IUPAC Name: 1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylazepane Traditional Name: 1-(2,6-dimethoxypyrimidin-4-yl)-4-phenyl-azepane Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)N2CCCC(CC2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=NC(=NC(=C1)N2CCCC(CC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C18H23N3O2/c1-22-17-13-16(19-18(20-17)23-2)21-11-6-9-15(10-12-21)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3