11-[3-(diethylamino)propyl]-6H-benzo[c][1]benzoxepine-11-carbonitrile; ethanedioic acid

Systemtic Name: 11-[3-(diethylamino)propyl]-6H-benzo[c][1]benzoxepine-11-carbonitrile; ethanedioic acid Openeye Name: 11-[3-(diethylamino)propyl]-6H-benzo[c][1]benzoxepine-11-carbonitrile; oxalic acid CAS Name: 11-[3-(diethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-carbonitrile; oxalic acid IUPAC Name: 11-[3-(diethylamino)propyl]-6H-benzo[c][1]benzoxepine-11-carbonitrile; oxalic acid Traditional Name: 11-[3-(diethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-carbonitrile; oxalic acid Formula: C24H28N2O5 MolecularWeight: 424.48952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC1(C2=CC=CC=C2COC3=CC=CC=C31)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCCC1(C2=CC=CC=C2COC3=CC=CC=C31)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26N2O.C2H2O4/c1-3-24(4-2)15-9-14-22(17-23)19-11-6-5-10-18(19)16-25-21-13-8-7-12-20(21)22;3-1(4)2(5)6/h5-8,10-13H,3-4,9,14-16H2,1-2H3;(H,3,4)(H,5,6)