N-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(p-tolyl)phthalazin-1-amine CAS Name: N-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)-1-phthalazinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine Traditional Name: 1,3-benzodioxol-5-yl-[4-(p-tolyl)phthalazin-1-yl]amine Formula: C22H17N3O2 MolecularWeight: 355.38928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H17N3O2/c1-14-6-8-15(9-7-14)21-17-4-2-3-5-18(17)22(25-24-21)23-16-10-11-19-20(12-16)27-13-26-19/h2-12H,13H2,1H3,(H,23,25)