[4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]piperazin-1-yl]-(4-methylphenyl)methanone

Systemtic Name: [4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]piperazin-1-yl]-(4-methylphenyl)methanone Openeye Name: [4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]piperazin-1-yl]-(p-tolyl)methanone CAS Name: [4-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-1-piperazinyl]-(4-methylphenyl)methanone IUPAC Name: [4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]piperazin-1-yl]-(4-methylphenyl)methanone Traditional Name: [4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]piperazino]-(p-tolyl)methanone Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H25N5O3/c1-18-6-8-19(9-7-18)27(33)32-14-12-31(13-15-32)26-22-5-3-2-4-21(22)25(29-30-26)28-20-10-11-23-24(16-20)35-17-34-23/h2-11,16H,12-15,17H2,1H3,(H,28,29)