N-ethyl-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-ethyl-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-ethyl-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide CAS Name: N-ethyl-4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-ethyl-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-ethyl-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c1-2-24-22(27)26-10-4-9-25(11-12-26)16-20-14-19-13-17(6-7-21(19)28-20)18-5-3-8-23-15-18/h3,5-8,13-15H,2,4,9-12,16H2,1H3,(H,24,27)