5-[3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine

Systemtic Name: 5-[3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine Openeye Name: 5-[3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine CAS Name: 5-[3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-pyrazolyl]phenyl]pyrimidine IUPAC Name: 5-[3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine Traditional Name: 5-[3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CN3C=CC(=N3)C4=CC=CC(=C4)C5=CN=CN=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CN3C=CC(=N3)C4=CC=CC(=C4)C5=CN=CN=C5

InChI

InChI=1S/C22H18N4O2/c1-2-7-22-21(6-1)27-14-19(28-22)13-26-9-8-20(25-26)17-5-3-4-16(10-17)18-11-23-15-24-12-18/h1-12,15,19H,13-14H2