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

Systemtic Name: 1-benzothiophen-2-yl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-(2-naphthylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-(2-naphthalenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-(2-naphthylmethyl)-1,4-diazepan-1-yl]methanone Formula: C25H24N2OS MolecularWeight: 400.53586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H24N2OS/c28-25(24-17-22-8-3-4-9-23(22)29-24)27-13-5-12-26(14-15-27)18-19-10-11-20-6-1-2-7-21(20)16-19/h1-4,6-11,16-17H,5,12-15,18H2