2-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]isoindole-1,3-dione Openeye Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]isoindoline-1,3-dione CAS Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]isoindole-1,3-dione Traditional Name: 2-[4-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]phenyl]isoindoline-1,3-quinone Formula: C23H22ClN3O3 MolecularWeight: 423.89208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)CO)Cl

InChI

InChI=1S/C23H22ClN3O3/c1-2-3-8-20-25-21(24)19(14-28)26(20)13-15-9-11-16(12-10-15)27-22(29)17-6-4-5-7-18(17)23(27)30/h4-7,9-12,28H,2-3,8,13-14H2,1H3