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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3-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=CSC=C2)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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