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

Systemtic Name: (3-methylthiophen-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-methyl-2-thienyl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-methyl-2-thiophenyl)-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methylthiophen-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-methyl-2-thienyl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C17H21N3OS/c1-14-6-12-22-16(14)17(21)20-9-4-8-19(10-11-20)13-15-5-2-3-7-18-15/h2-3,5-7,12H,4,8-11,13H2,1H3