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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(3-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=CSC=C3)N4CCCNCC4

Isomeric SMILES

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

InChI

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