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

Systemtic Name: [4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-(2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazino]-(2-thienyl)methanone Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C23H21N3O2S/c1-16-8-9-18-20(15-16)28-19-6-3-2-5-17(19)22(24-18)25-10-12-26(13-11-25)23(27)21-7-4-14-29-21/h2-9,14-15H,10-13H2,1H3