1-[1-benzothiophen-2-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-(4-benzyloxy-3-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-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=CC3=CC=CC=C3S2)N4CCCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4)OCC5=CC=CC=C5

InChI

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