N-[2-(4-methoxyphenyl)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-4-[4-(4-methoxyphenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-4-[4-(4-methoxyphenyl)piperazino]phthalazine-1-carboxamide Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5O3/c1-36-23-11-7-21(8-12-23)15-16-30-29(35)27-25-5-3-4-6-26(25)28(32-31-27)34-19-17-33(18-20-34)22-9-13-24(37-2)14-10-22/h3-14H,15-20H2,1-2H3,(H,30,35)