(E)-3-[2-(4-tert-butylphenoxy)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

Systemtic Name: (E)-3-[2-(4-tert-butylphenoxy)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile Openeye Name: (E)-3-[2-(4-tert-butylphenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile CAS Name: (E)-3-[2-(4-tert-butylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenenitrile IUPAC Name: (E)-3-[2-(4-tert-butylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile Traditional Name: (E)-3-[2-(4-tert-butylphenoxy)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]acrylonitrile Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=CC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C/C#N

InChI

InChI=1S/C21H19N3O2/c1-21(2,3)15-9-11-16(12-10-15)26-19-17(7-6-13-22)20(25)24-14-5-4-8-18(24)23-19/h4-12,14H,1-3H3/b7-6+