11-[2-(azepan-1-yl)ethyl]-6H-benzo[c][1]benzoxepine-11-carbonitrile; ethanedioic acid

Systemtic Name: 11-[2-(azepan-1-yl)ethyl]-6H-benzo[c][1]benzoxepine-11-carbonitrile; ethanedioic acid Openeye Name: 11-[2-(azepan-1-yl)ethyl]-6H-benzo[c][1]benzoxepine-11-carbonitrile; oxalic acid CAS Name: 11-[2-(1-azepanyl)ethyl]-6H-benzo[c][1]benzoxepin-11-carbonitrile; oxalic acid IUPAC Name: 11-[2-(azepan-1-yl)ethyl]-6H-benzo[c][1]benzoxepine-11-carbonitrile; oxalic acid Traditional Name: 11-[2-(azepan-1-yl)ethyl]-6H-benzo[c][1]benzoxepin-11-carbonitrile; oxalic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC2(C3=CC=CC=C3COC4=CC=CC=C42)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCC2(C3=CC=CC=C3COC4=CC=CC=C42)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N2O.C2H2O4/c24-18-23(13-16-25-14-7-1-2-8-15-25)20-10-4-3-9-19(20)17-26-22-12-6-5-11-21(22)23;3-1(4)2(5)6/h3-6,9-12H,1-2,7-8,13-17H2;(H,3,4)(H,5,6)