1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-(8-methoxy-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-3-methyl-butan-1-one Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3/c1-16(2)13-23(28)27-12-11-26(15-17(27)3)24-19-14-18(29-4)9-10-21(19)30-22-8-6-5-7-20(22)25-24/h5-10,14,16-17H,11-13,15H2,1-4H3