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

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

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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)NCC4=CC=C(C=C4)OCCCC#N

Isomeric SMILES

C1=CC(=CN=C1)C2=NN(C(=N2)C#N)C3=CC=C(C=C3)NCC4=CC=C(C=C4)OCCCC#N

InChI

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