ethyl 1-(4-cyanophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: ethyl 1-(4-cyanophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: ethyl 1-(4-cyanophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(4-cyanophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-cyanophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(4-cyanophenyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid ethyl ester Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(C(N1)C3=CC=C(C=C3)C#N)NC4=CC=CC=C24

Isomeric SMILES

CCOC(=O)C1CC2=C(C(N1)C3=CC=C(C=C3)C#N)NC4=CC=CC=C24

InChI

InChI=1S/C21H19N3O2/c1-2-26-21(25)18-11-16-15-5-3-4-6-17(15)23-20(16)19(24-18)14-9-7-13(12-22)8-10-14/h3-10,18-19,23-24H,2,11H2,1H3