1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-(10-methoxy-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(10-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=C4OC

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)(C)C)C2=NC3=CC=CC=C3OC4=C2C=CC=C4OC

InChI

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