5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-2-(4-ethoxyphenyl)isoindole-1,3-dione

Systemtic Name: 5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-2-(4-ethoxyphenyl)isoindole-1,3-dione Openeye Name: 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-(4-ethoxyphenyl)isoindoline-1,3-dione CAS Name: 5-[[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]-2-(4-ethoxyphenyl)isoindole-1,3-dione IUPAC Name: 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-(4-ethoxyphenyl)isoindole-1,3-dione Traditional Name: 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-p-phenetyl-isoindoline-1,3-quinone Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCCC(C4)C5=NC6=CC=CC=C6N5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCCC(C4)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C29H26N4O4/c1-2-37-21-12-10-20(11-13-21)33-28(35)22-14-9-18(16-23(22)29(33)36)27(34)32-15-5-6-19(17-32)26-30-24-7-3-4-8-25(24)31-26/h3-4,7-14,16,19H,2,5-6,15,17H2,1H3,(H,30,31)