3-[4-[3-(5-ethyl-7-methoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)pyridin-2-yl]piperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-[3-(5-ethyl-7-methoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)pyridin-2-yl]piperazin-1-yl]propanenitrile Openeye Name: 3-[4-[3-(5-ethyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridyl]piperazin-1-yl]propanenitrile CAS Name: 3-[4-[3-(5-ethyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[3-(5-ethyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)pyridin-2-yl]piperazin-1-yl]propanenitrile Traditional Name: 3-[4-[3-(5-ethyl-4-keto-7-methoxy-3,1-benzoxazin-2-yl)-2-pyridyl]piperazino]propionitrile Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C1C(=O)OC(=N2)C3=C(N=CC=C3)N4CCN(CC4)CCC#N)OC

Isomeric SMILES

CCC1=CC(=CC2=C1C(=O)OC(=N2)C3=C(N=CC=C3)N4CCN(CC4)CCC#N)OC

InChI

InChI=1S/C23H25N5O3/c1-3-16-14-17(30-2)15-19-20(16)23(29)31-22(26-19)18-6-4-8-25-21(18)28-12-10-27(11-13-28)9-5-7-24/h4,6,8,14-15H,3,5,9-13H2,1-2H3