2-[(E)-1-(4-methoxyphenyl)-5-piperazin-1-yl-pent-1-en-3-yl]phthalazin-1-one

Systemtic Name: 2-[(E)-1-(4-methoxyphenyl)-5-piperazin-1-yl-pent-1-en-3-yl]phthalazin-1-one Openeye Name: 2-[(E)-3-(4-methoxyphenyl)-1-(2-piperazin-1-ylethyl)allyl]phthalazin-1-one CAS Name: 2-[(E)-1-(4-methoxyphenyl)-5-(1-piperazinyl)pent-1-en-3-yl]-1-phthalazinone IUPAC Name: 2-[(E)-1-(4-methoxyphenyl)-5-piperazin-1-ylpent-1-en-3-yl]phthalazin-1-one Traditional Name: 2-[(E)-3-(4-methoxyphenyl)-1-(2-piperazinoethyl)allyl]phthalazin-1-one Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(CCN2CCNCC2)N3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(CCN2CCNCC2)N3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C24H28N4O2/c1-30-22-10-7-19(8-11-22)6-9-21(12-15-27-16-13-25-14-17-27)28-24(29)23-5-3-2-4-20(23)18-26-28/h2-11,18,21,25H,12-17H2,1H3/b9-6+