1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-(8-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-(8-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-2,2-dimethyl-propan-1-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)(C)C)C2=NC3=C(C=C(C=C3)C)OC4=C2C=C(C=C4)OC

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)(C)C)C2=NC3=C(C=C(C=C3)C)OC4=C2C=C(C=C4)OC

InChI

InChI=1S/C25H31N3O3/c1-16-7-9-20-22(13-16)31-21-10-8-18(30-6)14-19(21)23(26-20)27-11-12-28(17(2)15-27)24(29)25(3,4)5/h7-10,13-14,17H,11-12,15H2,1-6H3