3-[(3-aminophenyl)methyl]-2-(3-bromanyl-5-methyl-2-oxidanyl-phenyl)-1H-indole-5-carboximidamide

Systemtic Name: 3-[(3-aminophenyl)methyl]-2-(3-bromanyl-5-methyl-2-oxidanyl-phenyl)-1H-indole-5-carboximidamide Openeye Name: 3-[(3-aminophenyl)methyl]-2-(3-bromo-2-hydroxy-5-methyl-phenyl)-1H-indole-5-carboxamidine CAS Name: 3-[(3-aminophenyl)methyl]-2-(3-bromo-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide IUPAC Name: 3-[(3-aminophenyl)methyl]-2-(3-bromo-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide Traditional Name: 3-(3-aminobenzyl)-2-(3-bromo-2-hydroxy-5-methyl-phenyl)-1H-indole-5-carboxamidine Formula: C23H21BrN4O MolecularWeight: 449.34304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=N)N)CC4=CC(=CC=C4)N)O)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=N)N)CC4=CC(=CC=C4)N)O)Br

InChI

InChI=1S/C23H21BrN4O/c1-12-7-18(22(29)19(24)8-12)21-17(10-13-3-2-4-15(25)9-13)16-11-14(23(26)27)5-6-20(16)28-21/h2-9,11,28-29H,10,25H2,1H3,(H3,26,27)