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

Systemtic Name: N-(2-fluorophenyl)-4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxamide Openeye Name: N-(2-fluorophenyl)-4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxamide CAS Name: N-(2-fluorophenyl)-4-(8-methoxy-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: N-(2-fluorophenyl)-4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazine-1-carboxamide Traditional Name: N-(2-fluorophenyl)-4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxamide Formula: C26H25FN4O3 MolecularWeight: 460.500103

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=CC=C2F)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=CC=C2F)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

InChI

InChI=1S/C26H25FN4O3/c1-17-16-30(13-14-31(17)26(32)29-21-8-4-3-7-20(21)27)25-19-15-18(33-2)11-12-23(19)34-24-10-6-5-9-22(24)28-25/h3-12,15,17H,13-14,16H2,1-2H3,(H,29,32)