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

Systemtic Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-(9-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-(9-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-2-phenylethanone Traditional Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-2-phenyl-ethanone Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=CC=C2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=CC(=C5)OC

Isomeric SMILES

CC1CN(CCN1C(=O)CC2=CC=CC=C2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=CC(=C5)OC

InChI

InChI=1S/C28H29N3O3/c1-19-9-12-24-26(15-19)34-25-17-22(33-3)10-11-23(25)28(29-24)30-13-14-31(20(2)18-30)27(32)16-21-7-5-4-6-8-21/h4-12,15,17,20H,13-14,16,18H2,1-3H3