2,6-ditert-butyl-4-[[(1-prop-2-enylbenzimidazol-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[[(1-prop-2-enylbenzimidazol-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(1-allylbenzimidazol-2-yl)amino]methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[[(1-prop-2-enyl-2-benzimidazolyl)amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[[(1-prop-2-enylbenzimidazol-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[(1-allylbenzimidazol-2-yl)amino]methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNC2=NC3=CC=CC=C3N2CC=C)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CNC2=NC3=CC=CC=C3N2CC=C)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C25H31N3O/c1-8-13-28-21-12-10-9-11-20(21)27-23(28)26-16-17-14-18(24(2,3)4)22(29)19(15-17)25(5,6)7/h8-12,14-16H,1,13H2,2-7H3,(H,26,27)