N-[3-(7-butoxy-11-cyano-6H-benzo[c][1]benzoxepin-11-yl)propyl]-N-ethyl-pentan-1-amine oxide

Systemtic Name: N-[3-(7-butoxy-11-cyano-6H-benzo[c][1]benzoxepin-11-yl)propyl]-N-ethyl-pentan-1-amine oxide Openeye Name: N-[3-(7-butoxy-11-cyano-6H-benzo[c][1]benzoxepin-11-yl)propyl]-N-ethyl-pentan-1-amine oxide CAS Name: N-[3-(7-butoxy-11-cyano-6H-benzo[c][1]benzoxepin-11-yl)propyl]-N-ethyl-1-pentanamine oxide IUPAC Name: N-[3-(7-butoxy-11-cyano-6H-benzo[c][1]benzoxepin-11-yl)propyl]-N-ethylpentan-1-amine oxide Traditional Name: N-[3-(7-butoxy-11-cyano-6H-benzo[c][1]benzoxepin-11-yl)propyl]-N-ethyl-pentan-1-amine oxide Formula: C29H40N2O3 MolecularWeight: 464.6395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](CC)(CCCC1(C2=C(COC3=CC=CC=C31)C(=CC=C2)OCCCC)C#N)[O-]

Isomeric SMILES

CCCCC[N+](CC)(CCCC1(C2=C(COC3=CC=CC=C31)C(=CC=C2)OCCCC)C#N)[O-]

InChI

InChI=1S/C29H40N2O3/c1-4-7-11-19-31(32,6-3)20-13-18-29(23-30)25-15-12-17-27(33-21-8-5-2)24(25)22-34-28-16-10-9-14-26(28)29/h9-10,12,14-17H,4-8,11,13,18-22H2,1-3H3