N,N-dimethyl-2-[4-(4-thiophen-2-yl-2,3-dihydro-1-benzoxepin-5-yl)phenoxy]ethanamine

Systemtic Name: N,N-dimethyl-2-[4-(4-thiophen-2-yl-2,3-dihydro-1-benzoxepin-5-yl)phenoxy]ethanamine Openeye Name: N,N-dimethyl-2-[4-[4-(2-thienyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]ethanamine CAS Name: N,N-dimethyl-2-[4-(4-thiophen-2-yl-2,3-dihydro-1-benzoxepin-5-yl)phenoxy]ethanamine IUPAC Name: N,N-dimethyl-2-[4-(4-thiophen-2-yl-2,3-dihydro-1-benzoxepin-5-yl)phenoxy]ethanamine Traditional Name: dimethyl-[2-[4-[4-(2-thienyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]ethyl]amine Formula: C24H25NO2S MolecularWeight: 391.5258

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)C2=C(CCOC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)C2=C(CCOC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C24H25NO2S/c1-25(2)14-16-26-19-11-9-18(10-12-19)24-20-6-3-4-7-22(20)27-15-13-21(24)23-8-5-17-28-23/h3-12,17H,13-16H2,1-2H3