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

Systemtic Name: [4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-(8-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-(8-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-(2-thienyl)methanone Formula: C25H25N3O3S MolecularWeight: 447.5493

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-16-6-8-20-22(13-16)31-21-9-7-18(30-3)14-19(21)24(26-20)27-10-11-28(17(2)15-27)25(29)23-5-4-12-32-23/h4-9,12-14,17H,10-11,15H2,1-3H3