N-(3-fluorophenyl)-4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxamide

Systemtic Name: N-(3-fluorophenyl)-4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxamide Openeye Name: N-(3-fluorophenyl)-4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxamide CAS Name: N-(3-fluorophenyl)-4-(2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinecarboxamide IUPAC Name: N-(3-fluorophenyl)-4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxamide Traditional Name: N-(3-fluorophenyl)-4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxamide Formula: C25H23FN4O2 MolecularWeight: 430.474123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCN(CC4)C(=O)NC5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCN(CC4)C(=O)NC5=CC(=CC=C5)F

InChI

InChI=1S/C25H23FN4O2/c1-17-9-10-21-23(15-17)32-22-8-3-2-7-20(22)24(28-21)29-11-13-30(14-12-29)25(31)27-19-6-4-5-18(26)16-19/h2-10,15-16H,11-14H2,1H3,(H,27,31)