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

Systemtic Name: 6-chloranyl-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1-(3-oxidanylpropyl)indole-2-carboxamide Openeye Name: 6-chloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1-(3-hydroxypropyl)indole-2-carboxamide CAS Name: 6-chloro-N-[2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-1-(3-hydroxypropyl)-2-indolecarboxamide IUPAC Name: 6-chloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1-(3-hydroxypropyl)indole-2-carboxamide Traditional Name: 6-chloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1-(3-hydroxypropyl)indole-2-carboxamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC#N)NC(=O)C2=CC3=C(N2CCCO)C=C(C=C3)Cl

Isomeric SMILES

C1CCC(C(C1)C(=O)NCC#N)NC(=O)C2=CC3=C(N2CCCO)C=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4O3/c22-15-7-6-14-12-19(26(10-3-11-27)18(14)13-15)21(29)25-17-5-2-1-4-16(17)20(28)24-9-8-23/h6-7,12-13,16-17,27H,1-5,9-11H2,(H,24,28)(H,25,29)