N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide Openeye Name: 2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)phenyl]-1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxamide IUPAC Name: 2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-benzyl-N-[4-(4-ethylpiperazino)phenyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c1-2-30-14-16-31(17-15-30)23-11-9-22(10-12-23)29-26(33)21-8-13-24-25(18-21)28(35)32(27(24)34)19-20-6-4-3-5-7-20/h3-13,18H,2,14-17,19H2,1H3,(H,29,33)