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

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-2-prop-2-enyl-isoindole-1,3-dione Openeye Name: 2-allyl-5-(4-benzhydrylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 5-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-2-prop-2-enylisoindole-1,3-dione IUPAC Name: 5-(4-benzhydrylpiperazine-1-carbonyl)-2-prop-2-enylisoindole-1,3-dione Traditional Name: 2-allyl-5-(4-benzhydrylpiperazine-1-carbonyl)isoindoline-1,3-quinone Formula: C29H27N3O3 MolecularWeight: 465.54298

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O3/c1-2-15-32-28(34)24-14-13-23(20-25(24)29(32)35)27(33)31-18-16-30(17-19-31)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h2-14,20,26H,1,15-19H2