2-[4-[[4-(3-cyanopropoxy)phenyl]methylamino]phenyl]-5-pyridin-4-yl-1,2,4-triazole-3-carbonitrile

Systemtic Name: 2-[4-[[4-(3-cyanopropoxy)phenyl]methylamino]phenyl]-5-pyridin-4-yl-1,2,4-triazole-3-carbonitrile Openeye Name: 2-[4-[[4-(3-cyanopropoxy)phenyl]methylamino]phenyl]-5-(4-pyridyl)-1,2,4-triazole-3-carbonitrile CAS Name: 2-[4-[[4-(3-cyanopropoxy)phenyl]methylamino]phenyl]-5-pyridin-4-yl-1,2,4-triazole-3-carbonitrile IUPAC Name: 2-[4-[[4-(3-cyanopropoxy)phenyl]methylamino]phenyl]-5-pyridin-4-yl-1,2,4-triazole-3-carbonitrile Traditional Name: 2-[4-[[4-(3-cyanopropoxy)benzyl]amino]phenyl]-5-(4-pyridyl)-1,2,4-triazole-3-carbonitrile Formula: C25H21N7O MolecularWeight: 435.48054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC=C(C=C2)N3C(=NC(=N3)C4=CC=NC=C4)C#N)OCCCC#N

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC=C(C=C2)N3C(=NC(=N3)C4=CC=NC=C4)C#N)OCCCC#N

InChI

InChI=1S/C25H21N7O/c26-13-1-2-16-33-23-9-3-19(4-10-23)18-29-21-5-7-22(8-6-21)32-24(17-27)30-25(31-32)20-11-14-28-15-12-20/h3-12,14-15,29H,1-2,16,18H2