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

Systemtic Name: N-(3-methoxyphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-(3-methoxyphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-(3-methoxyphenyl)-4-[4-(4-methoxyphenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-(3-methoxyphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: N-(3-methoxyphenyl)-4-[4-(4-methoxyphenyl)piperazino]phthalazine-1-carboxamide Formula: C27H27N5O3 MolecularWeight: 469.53498

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O3/c1-34-21-12-10-20(11-13-21)31-14-16-32(17-15-31)26-24-9-4-3-8-23(24)25(29-30-26)27(33)28-19-6-5-7-22(18-19)35-2/h3-13,18H,14-17H2,1-2H3,(H,28,33)