N-(3-fluorophenyl)-4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-(3-fluorophenyl)-4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxamide Openeye Name: N-(3-fluorophenyl)-4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxamide CAS Name: N-(3-fluorophenyl)-4-(8-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: N-(3-fluorophenyl)-4-(8-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazine-1-carboxamide Traditional Name: N-(3-fluorophenyl)-4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxamide Formula: C27H27FN4O3 MolecularWeight: 474.526683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC(=CC=C2)F)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)OC

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC(=CC=C2)F)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)OC

InChI

InChI=1S/C27H27FN4O3/c1-17-7-9-23-25(13-17)35-24-10-8-21(34-3)15-22(24)26(30-23)31-11-12-32(18(2)16-31)27(33)29-20-6-4-5-19(28)14-20/h4-10,13-15,18H,11-12,16H2,1-3H3,(H,29,33)