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

Systemtic Name: (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylonitrile Formula: C29H24N8O MolecularWeight: 500.55386

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C(=CC4=CN(N=C4C5=CN=CC=C5)C6=CC=CC=C6)C#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)/C(=C/C4=CN(N=C4C5=CN=CC=C5)C6=CC=CC=C6)/C#N

InChI

InChI=1S/C29H24N8O/c30-19-23(28-32-33-29(35-14-16-38-17-15-35)37(28)26-11-5-2-6-12-26)18-24-21-36(25-9-3-1-4-10-25)34-27(24)22-8-7-13-31-20-22/h1-13,18,20-21H,14-17H2/b23-18+