1-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]ethanone Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4

Isomeric SMILES

CC(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H23N3O2/c1-16(25)24-9-3-8-23(10-11-24)15-20-13-19-12-17(5-6-21(19)26-20)18-4-2-7-22-14-18/h2,4-7,12-14H,3,8-11,15H2,1H3