N-[6-(4-ethylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]-2,4-dimethoxy-benzamide

Systemtic Name: N-[6-(4-ethylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]-2,4-dimethoxy-benzamide Openeye Name: N-[6-(4-ethylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]-2,4-dimethoxy-benzamide CAS Name: N-[6-(4-ethyl-1-piperazinyl)-8-benzo[b][1,4]benzoxazepinyl]-2,4-dimethoxybenzamide IUPAC Name: N-[6-(4-ethylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]-2,4-dimethoxybenzamide Traditional Name: N-[6-(4-ethylpiperazino)benzo[b][1,4]benzoxazepin-8-yl]-2,4-dimethoxy-benzamide Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)NC(=O)C5=C(C=C(C=C5)OC)OC

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)NC(=O)C5=C(C=C(C=C5)OC)OC

InChI

InChI=1S/C28H30N4O4/c1-4-31-13-15-32(16-14-31)27-22-17-19(9-12-24(22)36-25-8-6-5-7-23(25)30-27)29-28(33)21-11-10-20(34-2)18-26(21)35-3/h5-12,17-18H,4,13-16H2,1-3H3,(H,29,33)