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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-thiophen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2-thienyl)methyl]-1,4-diazepane Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CS2)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CS2)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O2S/c1-2-28-23-18-21(11-12-22(23)29-19-20-8-4-3-5-9-20)25(24-10-6-17-30-24)27-15-7-13-26-14-16-27/h3-6,8-12,17-18,25-26H,2,7,13-16,19H2,1H3