(7-ethoxy-1-benzofuran-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (7-ethoxy-1-benzofuran-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (7-ethoxybenzofuran-2-yl)-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (7-ethoxy-2-benzofuranyl)-[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (7-ethoxy-1-benzofuran-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (7-ethoxybenzofuran-2-yl)-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=C2)C(=O)N3CCCN(CC3)CC4=CSC(=N4)C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=C2)C(=O)N3CCCN(CC3)CC4=CSC(=N4)C

InChI

InChI=1S/C21H25N3O3S/c1-3-26-18-7-4-6-16-12-19(27-20(16)18)21(25)24-9-5-8-23(10-11-24)13-17-14-28-15(2)22-17/h4,6-7,12,14H,3,5,8-11,13H2,1-2H3