4-[4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]phthalazin-1-yl]benzamide

Systemtic Name: 4-[4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]phthalazin-1-yl]benzamide Openeye Name: 4-[4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]phthalazin-1-yl]benzamide CAS Name: 4-[4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-phthalazinyl]benzamide IUPAC Name: 4-[4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]phthalazin-1-yl]benzamide Traditional Name: 4-[4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]phthalazin-1-yl]benzamide Formula: C25H17N5O3 MolecularWeight: 435.43418

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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=C(C=C6)C(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C4=NN=C(C5=CC=CC=C54)C6=CC=C(C=C6)C(=O)N

InChI

InChI=1S/C25H17N5O3/c26-25(31)15-7-5-14(6-8-15)23-17-3-1-2-4-18(17)24(30-29-23)20-12-19(27-28-20)16-9-10-21-22(11-16)33-13-32-21/h1-12H,13H2,(H2,26,31)(H,27,28)