4-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione

Systemtic Name: 4-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Openeye Name: 4-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl]isoindoline-1,3-dione CAS Name: 4-[4-(1-cyclohex-3-enylmethyl)-1-piperazinyl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Traditional Name: 4-[4-(cyclohex-3-en-1-ylmethyl)piperazino]-2-p-anisyl-isoindoline-1,3-quinone Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5CCC=CC5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5CCC=CC5

InChI

InChI=1S/C27H31N3O3/c1-33-22-12-10-21(11-13-22)19-30-26(31)23-8-5-9-24(25(23)27(30)32)29-16-14-28(15-17-29)18-20-6-3-2-4-7-20/h2-3,5,8-13,20H,4,6-7,14-19H2,1H3