2-(3-methyl-1-benzothiophen-2-yl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3-methylbenzothiophen-2-yl)-1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3-methylbenzothiophen-2-yl)-1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CC3=C(C4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CC3=C(C4=CC=CC=C4S3)C

InChI

InChI=1S/C21H25N3O2S/c1-15-12-17(22-26-15)14-23-8-5-9-24(11-10-23)21(25)13-20-16(2)18-6-3-4-7-19(18)27-20/h3-4,6-7,12H,5,8-11,13-14H2,1-2H3