[2-methyl-4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [2-methyl-4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [2-methyl-4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-(2-thienyl)methanone CAS Name: [2-methyl-4-(2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [2-methyl-4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [2-methyl-4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazino]-(2-thienyl)methanone Formula: C24H23N3O2S MolecularWeight: 417.52332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CS2)C3=NC4=C(C=C(C=C4)C)OC5=CC=CC=C53

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CS2)C3=NC4=C(C=C(C=C4)C)OC5=CC=CC=C53

InChI

InChI=1S/C24H23N3O2S/c1-16-9-10-19-21(14-16)29-20-7-4-3-6-18(20)23(25-19)26-11-12-27(17(2)15-26)24(28)22-8-5-13-30-22/h3-10,13-14,17H,11-12,15H2,1-2H3