(2E,5E)-2,5-bis[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methylidene]cyclopentan-1-one

Systemtic Name: (2E,5E)-2,5-bis[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methylidene]cyclopentan-1-one Openeye Name: (2E,5E)-2,5-bis[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methylene]cyclopentanone CAS Name: (2E,5E)-2,5-bis[[4-methoxy-3-(1-pyrazolylmethyl)phenyl]methylidene]-1-cyclopentanone IUPAC Name: (2E,5E)-2,5-bis[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methylidene]cyclopentan-1-one Traditional Name: (2E,5E)-2,5-bis[4-methoxy-3-(pyrazol-1-ylmethyl)benzylidene]cyclopentanone Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2CCC(=CC3=CC(=C(C=C3)OC)CN4C=CC=N4)C2=O)CN5C=CC=N5

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OC)CN4N=CC=C4)/CC2)CN5N=CC=C5

InChI

InChI=1S/C29H28N4O3/c1-35-27-9-5-21(17-25(27)19-32-13-3-11-30-32)15-23-7-8-24(29(23)34)16-22-6-10-28(36-2)26(18-22)20-33-14-4-12-31-33/h3-6,9-18H,7-8,19-20H2,1-2H3/b23-15+,24-16+