2-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-phenyl]ethanamide

Systemtic Name: 2-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-phenyl]ethanamide Openeye Name: 2-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]acetamide CAS Name: 2-[3-bromo-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-hydroxyphenyl]acetamide IUPAC Name: 2-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxyphenyl]acetamide Traditional Name: 2-[3-(5-amidino-3-benzyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]acetamide Formula: C24H21BrN4O2 MolecularWeight: 477.35314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(NC3=C2C=C(C=C3)C(=N)N)C4=CC(=CC(=C4O)Br)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(NC3=C2C=C(C=C3)C(=N)N)C4=CC(=CC(=C4O)Br)CC(=O)N

InChI

InChI=1S/C24H21BrN4O2/c25-19-10-14(11-21(26)30)9-18(23(19)31)22-17(8-13-4-2-1-3-5-13)16-12-15(24(27)28)6-7-20(16)29-22/h1-7,9-10,12,29,31H,8,11H2,(H2,26,30)(H3,27,28)