3,3-diphenyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3,3-diphenyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3,3-diphenyl-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3,3-diphenyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3,3-diphenyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3,3-diphenyl-1-[4-(2-thenyl)-1,4-diazepan-1-yl]propan-1-one Formula: C25H28N2OS MolecularWeight: 404.56762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C25H28N2OS/c28-25(27-15-8-14-26(16-17-27)20-23-13-7-18-29-23)19-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-7,9-13,18,24H,8,14-17,19-20H2