10-[(4-chlorophenyl)methyl]-4-cyano-3-ethoxy-5H-azepino[3,4-b]indol-1-olate

Systemtic Name: 10-[(4-chlorophenyl)methyl]-4-cyano-3-ethoxy-5H-azepino[3,4-b]indol-1-olate Openeye Name: 10-[(4-chlorophenyl)methyl]-4-cyano-3-ethoxy-5H-azepino[3,4-b]indol-1-olate CAS Name: 10-[(4-chlorophenyl)methyl]-4-cyano-3-ethoxy-5H-azepino[3,4-b]indol-1-olate IUPAC Name: 10-[(4-chlorophenyl)methyl]-4-cyano-3-ethoxy-5H-azepino[3,4-b]indol-1-olate Traditional Name: 10-(4-chlorobenzyl)-4-cyano-3-ethoxy-5H-azepin[3,4-b]indol-1-olate Formula: C22H17ClN3O2- MolecularWeight: 390.84228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(CC2=C(C(=N1)[O-])N(C3=CC=CC=C23)CC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CCOC1=C(CC2=C(C(=N1)[O-])N(C3=CC=CC=C23)CC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C22H18ClN3O2/c1-2-28-22-15(12-24)11-18-17-5-3-4-6-19(17)26(20(18)21(27)25-22)13-14-7-9-16(23)10-8-14/h3-10H,2,11,13H2,1H3,(H,25,27)/p-1