2-[4-[[4-(3-cyanopropoxy)phenyl]methylamino]phenyl]-5-pyridin-3-yl-pyrazole-3-carbonitrile

Systemtic Name: 2-[4-[[4-(3-cyanopropoxy)phenyl]methylamino]phenyl]-5-pyridin-3-yl-pyrazole-3-carbonitrile Openeye Name: 2-[4-[[4-(3-cyanopropoxy)phenyl]methylamino]phenyl]-5-(3-pyridyl)pyrazole-3-carbonitrile CAS Name: 2-[4-[[4-(3-cyanopropoxy)phenyl]methylamino]phenyl]-5-(3-pyridinyl)-3-pyrazolecarbonitrile IUPAC Name: 2-[4-[[4-(3-cyanopropoxy)phenyl]methylamino]phenyl]-5-pyridin-3-ylpyrazole-3-carbonitrile Traditional Name: 2-[4-[[4-(3-cyanopropoxy)benzyl]amino]phenyl]-5-(3-pyridyl)pyrazole-3-carbonitrile Formula: C26H22N6O MolecularWeight: 434.49248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N6O/c27-13-1-2-15-33-25-11-5-20(6-12-25)18-30-22-7-9-23(10-8-22)32-24(17-28)16-26(31-32)21-4-3-14-29-19-21/h3-12,14,16,19,30H,1-2,15,18H2