4-(3-cyanopropoxy)-N-[4-(5-cyano-3-pyridin-3-yl-1,2,4-triazol-1-yl)phenyl]benzamide

Systemtic Name: 4-(3-cyanopropoxy)-N-[4-(5-cyano-3-pyridin-3-yl-1,2,4-triazol-1-yl)phenyl]benzamide Openeye Name: 4-(3-cyanopropoxy)-N-[4-[5-cyano-3-(3-pyridyl)-1,2,4-triazol-1-yl]phenyl]benzamide CAS Name: 4-(3-cyanopropoxy)-N-[4-[5-cyano-3-(3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]benzamide IUPAC Name: 4-(3-cyanopropoxy)-N-[4-(5-cyano-3-pyridin-3-yl-1,2,4-triazol-1-yl)phenyl]benzamide Traditional Name: 4-(3-cyanopropoxy)-N-[4-[5-cyano-3-(3-pyridyl)-1,2,4-triazol-1-yl]phenyl]benzamide Formula: C25H19N7O2 MolecularWeight: 449.46406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN(C(=N2)C#N)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)OCCCC#N

Isomeric SMILES

C1=CC(=CN=C1)C2=NN(C(=N2)C#N)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)OCCCC#N

InChI

InChI=1S/C25H19N7O2/c26-13-1-2-15-34-22-11-5-18(6-12-22)25(33)29-20-7-9-21(10-8-20)32-23(16-27)30-24(31-32)19-4-3-14-28-17-19/h3-12,14,17H,1-2,15H2,(H,29,33)