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

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-(3,5-dimethoxyphenyl)-4-[4-(4-methoxyphenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: N-(3,5-dimethoxyphenyl)-4-[4-(4-methoxyphenyl)piperazino]phthalazine-1-carboxamide Formula: C28H29N5O4 MolecularWeight: 499.56096

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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)NC5=CC(=CC(=C5)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NC5=CC(=CC(=C5)OC)OC

InChI

InChI=1S/C28H29N5O4/c1-35-21-10-8-20(9-11-21)32-12-14-33(15-13-32)27-25-7-5-4-6-24(25)26(30-31-27)28(34)29-19-16-22(36-2)18-23(17-19)37-3/h4-11,16-18H,12-15H2,1-3H3,(H,29,34)