6-naphthalen-2-yl-9-thiophen-2-yl-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-naphthalen-2-yl-9-thiophen-2-yl-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(2-naphthyl)-9-(2-thienyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(2-naphthalenyl)-9-thiophen-2-yl-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-naphthalen-2-yl-9-thiophen-2-yl-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(2-naphthyl)-9-(2-thienyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C27H22N2OS MolecularWeight: 422.54138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C=C2C(C1=O)C(NC3=CC=CC=C3N2)C4=CC5=CC=CC=C5C=C4)C6=CC=CS6

Isomeric SMILES

C1C(C=C2C(C1=O)C(NC3=CC=CC=C3N2)C4=CC5=CC=CC=C5C=C4)C6=CC=CS6

InChI

InChI=1S/C27H22N2OS/c30-24-16-20(25-10-5-13-31-25)15-23-26(24)27(29-22-9-4-3-8-21(22)28-23)19-12-11-17-6-1-2-7-18(17)14-19/h1-15,20,26-29H,16H2