1,4-bis[(E)-4-(3,4,5-trimethoxyphenyl)but-3-enyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(E)-4-(3,4,5-trimethoxyphenyl)but-3-enyl]-1,4-diazepane Openeye Name: 1,4-bis[(E)-4-(3,4,5-trimethoxyphenyl)but-3-enyl]-1,4-diazepane CAS Name: 1,4-bis[(E)-4-(3,4,5-trimethoxyphenyl)but-3-enyl]-1,4-diazepane IUPAC Name: 1,4-bis[(E)-4-(3,4,5-trimethoxyphenyl)but-3-enyl]-1,4-diazepane Traditional Name: 1,4-bis[(E)-4-(3,4,5-trimethoxyphenyl)but-3-enyl]-1,4-diazepane Formula: C31H44N2O6 MolecularWeight: 540.69086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CCCN2CCCN(CC2)CCC=CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/CCN2CCN(CCC2)CC/C=C/C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C31H44N2O6/c1-34-26-20-24(21-27(35-2)30(26)38-5)12-7-9-14-32-16-11-17-33(19-18-32)15-10-8-13-25-22-28(36-3)31(39-6)29(23-25)37-4/h7-8,12-13,20-23H,9-11,14-19H2,1-6H3/b12-7+,13-8+