(E)-2-(4-azanylquinazolin-2-yl)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-azanylquinazolin-2-yl)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-aminoquinazolin-2-yl)-3-(4-benzyloxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(4-amino-2-quinazolinyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-aminoquinazolin-2-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-aminoquinazolin-2-yl)-3-(4-benzoxy-3-methoxy-phenyl)acrylonitrile Formula: C25H20N4O2 MolecularWeight: 408.4519

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3C(=N2)N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3C(=N2)N)OCC4=CC=CC=C4

InChI

InChI=1S/C25H20N4O2/c1-30-23-14-18(11-12-22(23)31-16-17-7-3-2-4-8-17)13-19(15-26)25-28-21-10-6-5-9-20(21)24(27)29-25/h2-14H,16H2,1H3,(H2,27,28,29)/b19-13+