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

Systemtic Name: ethanedioic acid; 11-(3-piperidin-1-ylpropyl)-6H-benzo[c][1]benzoxepine-11-carbonitrile Openeye Name: oxalic acid; 11-[3-(1-piperidyl)propyl]-6H-benzo[c][1]benzoxepine-11-carbonitrile CAS Name: oxalic acid; 11-[3-(1-piperidinyl)propyl]-6H-benzo[c][1]benzoxepin-11-carbonitrile IUPAC Name: oxalic acid; 11-(3-piperidin-1-ylpropyl)-6H-benzo[c][1]benzoxepine-11-carbonitrile Traditional Name: oxalic acid; 11-(3-piperidinopropyl)-6H-benzo[c][1]benzoxepin-11-carbonitrile Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC2(C3=CC=CC=C3COC4=CC=CC=C42)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCCC2(C3=CC=CC=C3COC4=CC=CC=C42)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N2O.C2H2O4/c24-18-23(13-8-16-25-14-6-1-7-15-25)20-10-3-2-9-19(20)17-26-22-12-5-4-11-21(22)23;3-1(4)2(5)6/h2-5,9-12H,1,6-8,13-17H2;(H,3,4)(H,5,6)