1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-4-isoquinolin-5-yl-phthalazine

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-4-isoquinolin-5-yl-phthalazine Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-4-(5-isoquinolyl)phthalazine CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-4-(5-isoquinolinyl)phthalazine IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-4-isoquinolin-5-ylphthalazine Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-4-(5-isoquinolyl)phthalazine Formula: C27H17N5O2 MolecularWeight: 443.45618

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C4=NN=C(C5=CC=CC=C54)C6=CC=CC7=C6C=CN=C7

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C4=NN=C(C5=CC=CC=C54)C6=CC=CC7=C6C=CN=C7

InChI

InChI=1S/C27H17N5O2/c1-2-6-21-20(5-1)26(19-7-3-4-17-14-28-11-10-18(17)19)31-32-27(21)23-13-22(29-30-23)16-8-9-24-25(12-16)34-15-33-24/h1-14H,15H2,(H,29,30)