N-[2-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]ethyl]-1H-indole-2-carboxamide

Systemtic Name: N-[2-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]ethyl]-1H-indole-2-carboxamide Openeye Name: N-[2-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]ethyl]-1H-indole-2-carboxamide CAS Name: N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-1H-indole-2-carboxamide IUPAC Name: N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-1H-indole-2-carboxamide Traditional Name: N-[2-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]ethyl]-1H-indole-2-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2)C(=O)NCCNCC(COC3=CC=CC=C3C#N)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2)C(=O)NCCNCC(COC3=CC=CC=C3C#N)O

InChI

InChI=1S/C21H22N4O3/c22-12-16-6-2-4-8-20(16)28-14-17(26)13-23-9-10-24-21(27)19-11-15-5-1-3-7-18(15)25-19/h1-8,11,17,23,25-26H,9-10,13-14H2,(H,24,27)