1-phenethyl-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-phenethyl-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1-phenethyl-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-phenethyl-4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-phenethyl-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1-phenethyl-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)CC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C26H28N2OS/c1-2-5-21(6-3-1)9-13-27-11-4-12-28(15-14-27)19-25-18-24-17-22(7-8-26(24)29-25)23-10-16-30-20-23/h1-3,5-8,10,16-18,20H,4,9,11-15,19H2