2,1,3-benzoxadiazol-5-yl-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: 2,1,3-benzoxadiazol-5-yl-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: 2,1,3-benzoxadiazol-5-yl-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: 2,1,3-benzoxadiazol-5-yl-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: 2,1,3-benzoxadiazol-5-yl-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: benzofurazan-5-yl-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=NON=C3C=C2)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=NON=C3C=C2)CC4=CSC=C4

InChI

InChI=1S/C17H18N4O2S/c22-17(14-2-3-15-16(10-14)19-23-18-15)21-6-1-5-20(7-8-21)11-13-4-9-24-12-13/h2-4,9-10,12H,1,5-8,11H2