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

Systemtic Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-thienyl)ethanone CAS Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-thiophen-2-ylethanone Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-thienyl)ethanone Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2OS/c21-18(14-17-8-4-13-22-17)20-10-5-9-19(11-12-20)15-16-6-2-1-3-7-16/h1-4,6-8,13H,5,9-12,14-15H2