4-[(E)-but-2-enyl]-5-[4-(diphenylmethyl)piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 4-[(E)-but-2-enyl]-5-[4-(diphenylmethyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 5-(4-benzhydrylpiperazin-1-yl)-4-[(E)-but-2-enyl]isoindoline-1,3-dione CAS Name: 4-[(E)-but-2-enyl]-5-[4-(diphenylmethyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 5-(4-benzhydrylpiperazin-1-yl)-4-[(E)-but-2-enyl]isoindole-1,3-dione Traditional Name: 5-(4-benzhydrylpiperazino)-4-[(E)-but-2-enyl]isoindoline-1,3-quinone Formula: C29H29N3O2 MolecularWeight: 451.55946

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC1=C(C=CC2=C1C(=O)NC2=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C/C=C/CC1=C(C=CC2=C1C(=O)NC2=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2/c1-2-3-14-23-25(16-15-24-26(23)29(34)30-28(24)33)31-17-19-32(20-18-31)27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h2-13,15-16,27H,14,17-20H2,1H3,(H,30,33,34)/b3-2+