(E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(3-phenylmethoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(3-phenylmethoxyphenyl)prop-2-enenitrile Openeye Name: (E)-3-(3-benzyloxyphenyl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile CAS Name: (E)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-3-(3-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(3-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(3-benzoxyphenyl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)acrylonitrile Formula: C28H25N5O2 MolecularWeight: 463.5304

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C(=CC4=CC(=CC=C4)OCC5=CC=CC=C5)C#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)/C(=C/C4=CC(=CC=C4)OCC5=CC=CC=C5)/C#N

InChI

InChI=1S/C28H25N5O2/c29-20-24(18-23-10-7-13-26(19-23)35-21-22-8-3-1-4-9-22)27-30-31-28(32-14-16-34-17-15-32)33(27)25-11-5-2-6-12-25/h1-13,18-19H,14-17,21H2/b24-18+