(2E,6E)-2,6-bis[[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]methylidene]cyclohexan-1-one

Systemtic Name: (2E,6E)-2,6-bis[[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]methylidene]cyclohexan-1-one Openeye Name: (2E,6E)-2,6-bis[[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]methylene]cyclohexanone CAS Name: (2E,6E)-2,6-bis[[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]methylidene]-1-cyclohexanone IUPAC Name: (2E,6E)-2,6-bis[[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylidene]cyclohexan-1-one Traditional Name: (2E,6E)-2,6-bis[3-(benzotriazol-1-ylmethyl)-4-methoxy-benzylidene]cyclohexanone Formula: C36H32N6O3 MolecularWeight: 596.67768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2CCCC(=CC3=CC(=C(C=C3)OC)CN4C5=CC=CC=C5N=N4)C2=O)CN6C7=CC=CC=C7N=N6

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OC)CN4N=NC5=CC=CC=C45)/CCC2)CN6N=NC7=CC=CC=C67

InChI

InChI=1S/C36H32N6O3/c1-44-34-16-14-24(20-28(34)22-41-32-12-5-3-10-30(32)37-39-41)18-26-8-7-9-27(36(26)43)19-25-15-17-35(45-2)29(21-25)23-42-33-13-6-4-11-31(33)38-40-42/h3-6,10-21H,7-9,22-23H2,1-2H3/b26-18+,27-19+