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

Systemtic Name: 2-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-phenyl]-N,N-dimethyl-ethanamide Openeye Name: 2-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]-N,N-dimethyl-acetamide CAS Name: 2-[3-bromo-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-hydroxyphenyl]-N,N-dimethylacetamide IUPAC Name: 2-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxyphenyl]-N,N-dimethylacetamide Traditional Name: 2-[3-(5-amidino-3-benzyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]-N,N-dimethyl-acetamide Formula: C26H25BrN4O2 MolecularWeight: 505.4063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrN4O2/c1-31(2)23(32)13-16-11-20(25(33)21(27)12-16)24-19(10-15-6-4-3-5-7-15)18-14-17(26(28)29)8-9-22(18)30-24/h3-9,11-12,14,30,33H,10,13H2,1-2H3,(H3,28,29)