N-butyl-N-[2-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)ethyl]butan-1-amine oxide

Systemtic Name: N-butyl-N-[2-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)ethyl]butan-1-amine oxide Openeye Name: N-butyl-N-[2-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)ethyl]butan-1-amine oxide CAS Name: N-butyl-N-[2-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)ethyl]-1-butanamine oxide IUPAC Name: N-butyl-N-[2-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)ethyl]butan-1-amine oxide Traditional Name: N-butyl-N-[2-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)ethyl]butan-1-amine oxide Formula: C25H32N2OS MolecularWeight: 408.59938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCC1(C2=CC=CC=C2CSC3=CC=CC=C31)C#N)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCC1(C2=CC=CC=C2CSC3=CC=CC=C31)C#N)[O-]

InChI

InChI=1S/C25H32N2OS/c1-3-5-16-27(28,17-6-4-2)18-15-25(20-26)22-12-8-7-11-21(22)19-29-24-14-10-9-13-23(24)25/h7-14H,3-6,15-19H2,1-2H3