methyl (11E)-11-[2-(4-methylpiperazin-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl (11E)-11-[2-(4-methylpiperazin-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl (11E)-11-[2-(4-methylpiperazin-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[2-(4-methyl-1-piperazinyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl (11E)-11-[2-(4-methylpiperazin-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-[2-(4-methylpiperazino)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC=C2C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C/C=C/2\C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H26N2O3/c1-24-11-13-25(14-12-24)10-9-20-19-6-4-3-5-18(19)16-28-22-8-7-17(15-21(20)22)23(26)27-2/h3-9,15H,10-14,16H2,1-2H3/b20-9+