N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-methoxyphenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-N-piperonyl-phthalazine-1-carboxamide Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H27N5O4/c1-35-21-9-7-20(8-10-21)32-12-14-33(15-13-32)27-23-5-3-2-4-22(23)26(30-31-27)28(34)29-17-19-6-11-24-25(16-19)37-18-36-24/h2-11,16H,12-15,17-18H2,1H3,(H,29,34)