[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(3-methyl-2-thienyl)methanone CAS Name: [4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(3-methyl-2-thienyl)methanone Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=NOC(=C3)C

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=NOC(=C3)C

InChI

InChI=1S/C16H21N3O2S/c1-12-4-9-22-15(12)16(20)19-6-3-5-18(7-8-19)11-14-10-13(2)21-17-14/h4,9-10H,3,5-8,11H2,1-2H3