N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methylphenyl)phthalazin-1-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methylphenyl)phthalazin-1-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(p-tolyl)phthalazin-1-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methylphenyl)-1-phthalazinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methylphenyl)phthalazin-1-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[4-(p-tolyl)phthalazin-1-yl]amine Formula: C24H21N3O2 MolecularWeight: 383.44244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C24H21N3O2/c1-16-10-12-17(13-11-16)23-19-6-2-3-7-20(19)24(27-26-23)25-14-18-15-28-21-8-4-5-9-22(21)29-18/h2-13,18H,14-15H2,1H3,(H,25,27)