1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-thiophen-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-thiophen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2-thienyl)methyl]-1,4-diazepane Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CS3)N4CCCNCC4

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CS3)N4CCCNCC4

InChI

InChI=1S/C25H30N2O3S/c1-28-21-16-20(17-22(29-2)25(21)30-18-19-8-4-3-5-9-19)24(23-10-6-15-31-23)27-13-7-11-26-12-14-27/h3-6,8-10,15-17,24,26H,7,11-14,18H2,1-2H3