(6E)-6-[5-(aminomethyl)-1,3-dihydrobenzimidazol-2-ylidene]-2,4-ditert-butyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[5-(aminomethyl)-1,3-dihydrobenzimidazol-2-ylidene]-2,4-ditert-butyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[5-(aminomethyl)-1,3-dihydrobenzimidazol-2-ylidene]-2,4-ditert-butyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[5-(aminomethyl)-1,3-dihydrobenzimidazol-2-ylidene]-2,4-ditert-butyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[5-(aminomethyl)-1,3-dihydrobenzimidazol-2-ylidene]-2,4-ditert-butylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[5-(aminomethyl)-1,3-dihydrobenzimidazol-2-ylidene]-2,4-ditert-butyl-cyclohexa-2,4-dien-1-one Formula: C22H29N3O MolecularWeight: 351.48516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NC3=C(N2)C=C(C=C3)CN)C(=O)C(=C1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C/C(=C\2/NC3=C(N2)C=C(C=C3)CN)/C(=O)C(=C1)C(C)(C)C

InChI

InChI=1S/C22H29N3O/c1-21(2,3)14-10-15(19(26)16(11-14)22(4,5)6)20-24-17-8-7-13(12-23)9-18(17)25-20/h7-11,24-25H,12,23H2,1-6H3/b20-15+