N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1-(3-oxidanylpropyl)indole-2-carboxamide

Systemtic Name: N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1-(3-oxidanylpropyl)indole-2-carboxamide Openeye Name: N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1-(3-hydroxypropyl)indole-2-carboxamide CAS Name: N-[2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-1-(3-hydroxypropyl)-2-indolecarboxamide IUPAC Name: N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1-(3-hydroxypropyl)indole-2-carboxamide Traditional Name: N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1-(3-hydroxypropyl)indole-2-carboxamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC#N)NC(=O)C2=CC3=CC=CC=C3N2CCCO

Isomeric SMILES

C1CCC(C(C1)C(=O)NCC#N)NC(=O)C2=CC3=CC=CC=C3N2CCCO

InChI

InChI=1S/C21H26N4O3/c22-10-11-23-20(27)16-7-2-3-8-17(16)24-21(28)19-14-15-6-1-4-9-18(15)25(19)12-5-13-26/h1,4,6,9,14,16-17,26H,2-3,5,7-8,11-13H2,(H,23,27)(H,24,28)