1,4-bis[(3,4,5,6-tetramethyl-1-benzofuran-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(3,4,5,6-tetramethyl-1-benzofuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1,4-bis[(3,4,5,6-tetramethylbenzofuran-2-yl)methyl]-1,4-diazepane CAS Name: 1,4-bis[(3,4,5,6-tetramethyl-2-benzofuranyl)methyl]-1,4-diazepane IUPAC Name: 1,4-bis[(3,4,5,6-tetramethyl-1-benzofuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1,4-bis[(3,4,5,6-tetramethylbenzofuran-2-yl)methyl]-1,4-diazepane Formula: C31H40N2O2 MolecularWeight: 472.6615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1C)C)C(=C(O2)CN3CCCN(CC3)CC4=C(C5=C(O4)C=C(C(=C5C)C)C)C)C

Isomeric SMILES

CC1=CC2=C(C(=C1C)C)C(=C(O2)CN3CCCN(CC3)CC4=C(C5=C(O4)C=C(C(=C5C)C)C)C)C

InChI

InChI=1S/C31H40N2O2/c1-18-14-26-30(22(5)20(18)3)24(7)28(34-26)16-32-10-9-11-33(13-12-32)17-29-25(8)31-23(6)21(4)19(2)15-27(31)35-29/h14-15H,9-13,16-17H2,1-8H3