4-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]methyl]benzenecarbonitrile Openeye Name: 4-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]methyl]benzonitrile CAS Name: 4-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]methyl]benzonitrile IUPAC Name: 4-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]methyl]benzonitrile Traditional Name: 4-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]methyl]benzonitrile Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)CNCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)CNCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H18N4O2/c21-10-14-1-3-15(4-2-14)11-22-12-17-13-23-24-20(17)16-5-6-18-19(9-16)26-8-7-25-18/h1-6,9,13,22H,7-8,11-12H2,(H,23,24)