[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-(9-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-(9-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazino]-(2-thienyl)methanone Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C24H23N3O3S/c1-16-5-8-19-21(14-16)30-20-15-17(29-2)6-7-18(20)23(25-19)26-9-11-27(12-10-26)24(28)22-4-3-13-31-22/h3-8,13-15H,9-12H2,1-2H3