6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(3-piperazin-1-ylpropyl)phthalazin-1-one

Systemtic Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(3-piperazin-1-ylpropyl)phthalazin-1-one Openeye Name: 6-[(E)-2-(4-methoxyphenyl)vinyl]-2-(3-piperazin-1-ylpropyl)phthalazin-1-one CAS Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[3-(1-piperazinyl)propyl]-1-phthalazinone IUPAC Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(3-piperazin-1-ylpropyl)phthalazin-1-one Traditional Name: 6-[(E)-2-(4-methoxyphenyl)vinyl]-2-(3-piperazinopropyl)phthalazin-1-one Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2=CC3=C(C=C2)C(=O)N(N=C3)CCCN4CCNCC4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C2=CC3=C(C=C2)C(=O)N(N=C3)CCCN4CCNCC4

InChI

InChI=1S/C24H28N4O2/c1-30-22-8-5-19(6-9-22)3-4-20-7-10-23-21(17-20)18-26-28(24(23)29)14-2-13-27-15-11-25-12-16-27/h3-10,17-18,25H,2,11-16H2,1H3/b4-3+