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

Systemtic Name: [4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-phenyl-methanone CAS Name: [4-(9-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(9-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-phenylmethanone Traditional Name: [4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-phenyl-methanone Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3/c1-18-9-12-23-25(15-18)33-24-16-21(32-3)10-11-22(24)26(28-23)29-13-14-30(19(2)17-29)27(31)20-7-5-4-6-8-20/h4-12,15-16,19H,13-14,17H2,1-3H3