(1-methylpyrrol-2-yl)-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (1-methylpyrrol-2-yl)-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (1-methylpyrrol-2-yl)-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone CAS Name: (1-methyl-2-pyrrolyl)-[4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (1-methylpyrrol-2-yl)-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (1-methylpyrrol-2-yl)-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C24H25N3O2S/c1-25-8-2-4-22(25)24(28)27-10-3-9-26(11-12-27)16-21-15-20-14-18(5-6-23(20)29-21)19-7-13-30-17-19/h2,4-8,13-15,17H,3,9-12,16H2,1H3