[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-(2,8-dimethyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-(2-thienyl)methanone Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CS2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CS2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

InChI

InChI=1S/C25H25N3O2S/c1-16-7-9-21-19(13-16)24(26-20-8-6-17(2)14-22(20)30-21)27-10-11-28(18(3)15-27)25(29)23-5-4-12-31-23/h4-9,12-14,18H,10-11,15H2,1-3H3