3-methyl-3-oxidanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-one

Systemtic Name: 3-methyl-3-oxidanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-one Openeye Name: 3-hydroxy-3-methyl-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]pentan-1-one CAS Name: 3-hydroxy-3-methyl-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]-1-pentanone IUPAC Name: 3-hydroxy-3-methyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-one Traditional Name: 3-hydroxy-3-methyl-1-[4-(3-thenyl)-1,4-diazepan-1-yl]pentan-1-one Formula: C16H26N2O2S MolecularWeight: 310.45484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(=O)N1CCCN(CC1)CC2=CSC=C2)O

Isomeric SMILES

CCC(C)(CC(=O)N1CCCN(CC1)CC2=CSC=C2)O

InChI

InChI=1S/C16H26N2O2S/c1-3-16(2,20)11-15(19)18-7-4-6-17(8-9-18)12-14-5-10-21-13-14/h5,10,13,20H,3-4,6-9,11-12H2,1-2H3