(3-ethoxythiophen-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-ethoxythiophen-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-ethoxy-2-thienyl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-ethoxy-2-thiophenyl)-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-ethoxythiophen-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-ethoxy-2-thienyl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=NC=CN3C

Isomeric SMILES

CCOC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=NC=CN3C

InChI

InChI=1S/C17H24N4O2S/c1-3-23-14-5-12-24-16(14)17(22)21-8-4-7-20(10-11-21)13-15-18-6-9-19(15)2/h5-6,9,12H,3-4,7-8,10-11,13H2,1-2H3