4-[2-(1H-benzimidazol-2-yl)phenyl]imino-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[2-(1H-benzimidazol-2-yl)phenyl]imino-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-(1H-benzimidazol-2-yl)phenyl]imino-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[2-(1H-benzimidazol-2-yl)phenyl]imino-2,6-ditert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-(1H-benzimidazol-2-yl)phenyl]imino-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[2-(1H-benzimidazol-2-yl)phenyl]imino-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C27H29N3O MolecularWeight: 411.53866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC2=CC=CC=C2C3=NC4=CC=CC=C4N3)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NC2=CC=CC=C2C3=NC4=CC=CC=C4N3)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C27H29N3O/c1-26(2,3)19-15-17(16-20(24(19)31)27(4,5)6)28-21-12-8-7-11-18(21)25-29-22-13-9-10-14-23(22)30-25/h7-16H,1-6H3,(H,29,30)