11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: 11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-(4-methyl-1-piperazinyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-(4-methylpiperazino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-21-8-10-22(11-9-21)19-16-5-3-2-4-15(16)13-25-18-7-6-14(20(23)24)12-17(18)19/h2-7,12,19H,8-11,13H2,1H3,(H,23,24)