4-chloranyl-N-[6-(4-propan-2-ylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]benzamide

Systemtic Name: 4-chloranyl-N-[6-(4-propan-2-ylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]benzamide Openeye Name: 4-chloro-N-[6-(4-isopropylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]benzamide CAS Name: 4-chloro-N-[6-(4-propan-2-yl-1-piperazinyl)-8-benzo[b][1,4]benzoxazepinyl]benzamide IUPAC Name: 4-chloro-N-[6-(4-propan-2-ylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]benzamide Traditional Name: 4-chloro-N-[6-(4-isopropylpiperazino)benzo[b][1,4]benzoxazepin-8-yl]benzamide Formula: C27H27ClN4O2 MolecularWeight: 474.98188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)NC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)NC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H27ClN4O2/c1-18(2)31-13-15-32(16-14-31)26-22-17-21(29-27(33)19-7-9-20(28)10-8-19)11-12-24(22)34-25-6-4-3-5-23(25)30-26/h3-12,17-18H,13-16H2,1-2H3,(H,29,33)