1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(4-benzyloxy-3-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(4-benzoxy-3-methoxy-phenyl)methyl]-1,4-diazepane Formula: C28H30N2O2S MolecularWeight: 458.615

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H30N2O2S/c1-31-26-18-22(12-13-25(26)32-19-21-8-3-2-4-9-21)28(30-16-7-14-29-15-17-30)24-20-33-27-11-6-5-10-23(24)27/h2-6,8-13,18,20,28-29H,7,14-17,19H2,1H3