1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CSC3=CC=CC=C32)N4CCCNCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CSC3=CC=CC=C32)N4CCCNCC4

InChI

InChI=1S/C23H28N2O3S/c1-26-19-13-16(14-20(27-2)23(19)28-3)22(25-11-6-9-24-10-12-25)18-15-29-21-8-5-4-7-17(18)21/h4-5,7-8,13-15,22,24H,6,9-12H2,1-3H3