1,4-bis[[1-(methoxymethyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl]methyl]-1,4-diazepane

Systemtic Name: 1,4-bis[[1-(methoxymethyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl]methyl]-1,4-diazepane Openeye Name: 1,4-bis[[1-(methoxymethyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl]methyl]-1,4-diazepane CAS Name: 1,4-bis[[1-(methoxymethyl)-5-(3,4,5-trimethoxyphenyl)-3-pyrazolyl]methyl]-1,4-diazepane IUPAC Name: 1,4-bis[[1-(methoxymethyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl]methyl]-1,4-diazepane Traditional Name: 1,4-bis[[1-(methoxymethyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl]methyl]-1,4-diazepane Formula: C35H48N6O8 MolecularWeight: 680.79102

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Descriptors Computed from Structure

Canonical SMILES:

COCN1C(=CC(=N1)CN2CCCN(CC2)CC3=NN(C(=C3)C4=CC(=C(C(=C4)OC)OC)OC)COC)C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

COCN1C(=CC(=N1)CN2CCCN(CC2)CC3=NN(C(=C3)C4=CC(=C(C(=C4)OC)OC)OC)COC)C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C35H48N6O8/c1-42-22-40-28(24-14-30(44-3)34(48-7)31(15-24)45-4)18-26(36-40)20-38-10-9-11-39(13-12-38)21-27-19-29(41(37-27)23-43-2)25-16-32(46-5)35(49-8)33(17-25)47-6/h14-19H,9-13,20-23H2,1-8H3