1-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-(9-methoxy-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-3,3-dimethyl-butan-1-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)(C)C)C2=NC3=CC=CC=C3OC4=C2C=CC(=C4)OC

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)(C)C)C2=NC3=CC=CC=C3OC4=C2C=CC(=C4)OC

InChI

InChI=1S/C25H31N3O3/c1-17-16-27(12-13-28(17)23(29)15-25(2,3)4)24-19-11-10-18(30-5)14-22(19)31-21-9-7-6-8-20(21)26-24/h6-11,14,17H,12-13,15-16H2,1-5H3