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

Systemtic Name: 11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxamide dihydrate Openeye Name: 11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxamide dihydrate CAS Name: 11-(4-methyl-1-piperazinyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxamide dihydrate IUPAC Name: 11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxamide dihydrate Traditional Name: 11-(4-methylpiperazino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxamide dihydrate Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2.2H2O/c1-22-8-10-23(11-9-22)19-16-5-3-2-4-15(16)13-25-18-7-6-14(20(21)24)12-17(18)19;;/h2-7,12,19H,8-11,13H2,1H3,(H2,21,24);2*1H2