(3-ethoxythiophen-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-ethoxythiophen-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-ethoxy-2-thienyl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-ethoxy-2-thiophenyl)-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-ethoxythiophen-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-ethoxy-2-thienyl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CCOC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C18H23N3O2S/c1-2-23-16-7-13-24-17(16)18(22)21-10-5-9-20(11-12-21)14-15-6-3-4-8-19-15/h3-4,6-8,13H,2,5,9-12,14H2,1H3