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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC(=CC=C5)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC(=CC=C5)OC

InChI

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