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

Systemtic Name: 1-[(3,5-dimethylphenyl)methyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3,5-dimethylphenyl)methyl]-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethylphenyl)methyl]-4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethylphenyl)methyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(3,5-dimethylbenzyl)-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5)C

InChI

InChI=1S/C27H30N2OS/c1-20-12-21(2)14-22(13-20)17-28-7-3-8-29(10-9-28)18-26-16-25-15-23(4-5-27(25)30-26)24-6-11-31-19-24/h4-6,11-16,19H,3,7-10,17-18H2,1-2H3