3-methyl-9-phenyl-6-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 3-methyl-9-phenyl-6-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 3-methyl-9-phenyl-6-(2-thienyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 3-methyl-9-phenyl-6-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 3-methyl-9-phenyl-6-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 3-methyl-9-phenyl-6-(2-thienyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C24H22N2OS MolecularWeight: 386.50928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C(C(N2)C4=CC=CS4)C(=O)CC(C3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C(C(N2)C4=CC=CS4)C(=O)CC(C3)C5=CC=CC=C5

InChI

InChI=1S/C24H22N2OS/c1-15-9-10-18-19(12-15)26-24(22-8-5-11-28-22)23-20(25-18)13-17(14-21(23)27)16-6-3-2-4-7-16/h2-12,17,24-26H,13-14H2,1H3