(E)-3-anthracen-9-yl-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile

Systemtic Name: (E)-3-anthracen-9-yl-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile Openeye Name: (E)-3-(9-anthryl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile CAS Name: (E)-3-(9-anthracenyl)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-propenenitrile IUPAC Name: (E)-3-anthracen-9-yl-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile Traditional Name: (E)-3-(9-anthryl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)acrylonitrile Formula: C29H23N5O MolecularWeight: 457.52582

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C(=CC4=C5C=CC=CC5=CC6=CC=CC=C64)C#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)/C(=C/C4=C5C=CC=CC5=CC6=CC=CC=C64)/C#N

InChI

InChI=1S/C29H23N5O/c30-20-23(19-27-25-12-6-4-8-21(25)18-22-9-5-7-13-26(22)27)28-31-32-29(33-14-16-35-17-15-33)34(28)24-10-2-1-3-11-24/h1-13,18-19H,14-17H2/b23-19+