1-benzothiophen-2-yl-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C20H21N3OS MolecularWeight: 351.46524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)CC4=CC=CC=N4

InChI

InChI=1S/C20H21N3OS/c24-20(19-14-16-6-1-2-8-18(16)25-19)23-11-5-10-22(12-13-23)15-17-7-3-4-9-21-17/h1-4,6-9,14H,5,10-13,15H2