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

Systemtic Name: N-[6-(4-propan-2-ylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]cyclobutanecarboxamide Openeye Name: N-[6-(4-isopropylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]cyclobutanecarboxamide CAS Name: N-[6-(4-propan-2-yl-1-piperazinyl)-8-benzo[b][1,4]benzoxazepinyl]cyclobutanecarboxamide IUPAC Name: N-[6-(4-propan-2-ylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]cyclobutanecarboxamide Traditional Name: N-[6-(4-isopropylpiperazino)benzo[b][1,4]benzoxazepin-8-yl]cyclobutanecarboxamide Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)NC(=O)C5CCC5

Isomeric SMILES

CC(C)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)NC(=O)C5CCC5

InChI

InChI=1S/C25H30N4O2/c1-17(2)28-12-14-29(15-13-28)24-20-16-19(26-25(30)18-6-5-7-18)10-11-22(20)31-23-9-4-3-8-21(23)27-24/h3-4,8-11,16-18H,5-7,12-15H2,1-2H3,(H,26,30)