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

Systemtic Name: N-(4-aminophenyl)-5-(3,3-dimethylbutylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide Openeye Name: N-(4-aminophenyl)-5-(3,3-dimethylbutylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide CAS Name: N-(4-aminophenyl)-5-(3,3-dimethylbutylamino)-1-[(2-fluorophenyl)methyl]-2-indolecarboxamide IUPAC Name: N-(4-aminophenyl)-5-(3,3-dimethylbutylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide Traditional Name: N-(4-aminophenyl)-5-(3,3-dimethylbutylamino)-1-(2-fluorobenzyl)indole-2-carboxamide Formula: C28H31FN4O MolecularWeight: 458.570343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=CC=C(C=C3)N)CC4=CC=CC=C4F

Isomeric SMILES

CC(C)(C)CCNC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=CC=C(C=C3)N)CC4=CC=CC=C4F

InChI

InChI=1S/C28H31FN4O/c1-28(2,3)14-15-31-23-12-13-25-20(16-23)17-26(27(34)32-22-10-8-21(30)9-11-22)33(25)18-19-6-4-5-7-24(19)29/h4-13,16-17,31H,14-15,18,30H2,1-3H3,(H,32,34)