3,5-dimethyl-4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-(3-thenyl)-1,4-diazepan-1-yl]methyl]isoxazole Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C16H23N3OS/c1-13-16(14(2)20-17-13)11-19-6-3-5-18(7-8-19)10-15-4-9-21-12-15/h4,9,12H,3,5-8,10-11H2,1-2H3