N-(4-aminocarbonylphenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide

Systemtic Name: N-(4-aminocarbonylphenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide Openeye Name: N-(4-carbamoylphenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide CAS Name: N-(4-carbamoylphenyl)-5-[(3,3-dimethyl-1-oxobutyl)amino]-1-[(2-fluorophenyl)methyl]-2-indolecarboxamide IUPAC Name: N-(4-carbamoylphenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide Traditional Name: N-(4-carbamoylphenyl)-5-(3,3-dimethylbutanoylamino)-1-(2-fluorobenzyl)indole-2-carboxamide Formula: C29H29FN4O3 MolecularWeight: 500.563963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=CC=C(C=C3)C(=O)N)CC4=CC=CC=C4F

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=CC=C(C=C3)C(=O)N)CC4=CC=CC=C4F

InChI

InChI=1S/C29H29FN4O3/c1-29(2,3)16-26(35)32-22-12-13-24-20(14-22)15-25(34(24)17-19-6-4-5-7-23(19)30)28(37)33-21-10-8-18(9-11-21)27(31)36/h4-15H,16-17H2,1-3H3,(H2,31,36)(H,32,35)(H,33,37)