(7-ethoxy-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (7-ethoxy-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (7-ethoxybenzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (7-ethoxy-2-benzofuranyl)-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (7-ethoxy-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (7-ethoxybenzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=C2)C(=O)N3CCCN(CC3)CC4=NC=CN4C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=C2)C(=O)N3CCCN(CC3)CC4=NC=CN4C

InChI

InChI=1S/C21H26N4O3/c1-3-27-17-7-4-6-16-14-18(28-20(16)17)21(26)25-10-5-9-24(12-13-25)15-19-22-8-11-23(19)2/h4,6-8,11,14H,3,5,9-10,12-13,15H2,1-2H3