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

Systemtic Name: 3-methoxy-N-[6-(4-propan-2-ylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]benzamide Openeye Name: N-[6-(4-isopropylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]-3-methoxy-benzamide CAS Name: 3-methoxy-N-[6-(4-propan-2-yl-1-piperazinyl)-8-benzo[b][1,4]benzoxazepinyl]benzamide IUPAC Name: 3-methoxy-N-[6-(4-propan-2-ylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]benzamide Traditional Name: N-[6-(4-isopropylpiperazino)benzo[b][1,4]benzoxazepin-8-yl]-3-methoxy-benzamide Formula: C28H30N4O3 MolecularWeight: 470.5628

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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(=CC=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O3/c1-19(2)31-13-15-32(16-14-31)27-23-18-21(29-28(33)20-7-6-8-22(17-20)34-3)11-12-25(23)35-26-10-5-4-9-24(26)30-27/h4-12,17-19H,13-16H2,1-3H3,(H,29,33)