1-[(3-fluorophenyl)methyl]-5-(3-methylbutanoylamino)indole-2-carboxamide

Systemtic Name: 1-[(3-fluorophenyl)methyl]-5-(3-methylbutanoylamino)indole-2-carboxamide Openeye Name: 1-[(3-fluorophenyl)methyl]-5-(3-methylbutanoylamino)indole-2-carboxamide CAS Name: 1-[(3-fluorophenyl)methyl]-5-[(3-methyl-1-oxobutyl)amino]-2-indolecarboxamide IUPAC Name: 1-[(3-fluorophenyl)methyl]-5-(3-methylbutanoylamino)indole-2-carboxamide Traditional Name: 1-(3-fluorobenzyl)-5-(isovalerylamino)indole-2-carboxamide Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)N)CC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)N)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FN3O2/c1-13(2)8-20(26)24-17-6-7-18-15(10-17)11-19(21(23)27)25(18)12-14-4-3-5-16(22)9-14/h3-7,9-11,13H,8,12H2,1-2H3,(H2,23,27)(H,24,26)