2-(benzotriazol-1-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[4-(2-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C3=CC=CC=C3N=N2)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C3=CC=CC=C3N=N2)CC4=CC=CS4

InChI

InChI=1S/C18H21N5OS/c24-18(14-23-17-7-2-1-6-16(17)19-20-23)22-9-4-8-21(10-11-22)13-15-5-3-12-25-15/h1-3,5-7,12H,4,8-11,13-14H2