N-[2-(4-bromophenyl)ethyl]-1-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-indole-2-carboxamide

Systemtic Name: N-[2-(4-bromophenyl)ethyl]-1-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-indole-2-carboxamide Openeye Name: N-[2-(4-bromophenyl)ethyl]-1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-indole-2-carboxamide CAS Name: N-[2-(4-bromophenyl)ethyl]-1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-2-indolecarboxamide IUPAC Name: N-[2-(4-bromophenyl)ethyl]-1-[(3-carbamimidoylphenyl)methyl]-4-hydroxyindole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-N-[2-(4-bromophenyl)ethyl]-4-hydroxy-indole-2-carboxamide Formula: C25H23BrN4O2 MolecularWeight: 491.37972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=C(C=C2C(=O)NCCC4=CC=C(C=C4)Br)C(=CC=C3)O)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=C(C=C2C(=O)NCCC4=CC=C(C=C4)Br)C(=CC=C3)O)C(=N)N

InChI

InChI=1S/C25H23BrN4O2/c26-19-9-7-16(8-10-19)11-12-29-25(32)22-14-20-21(5-2-6-23(20)31)30(22)15-17-3-1-4-18(13-17)24(27)28/h1-10,13-14,31H,11-12,15H2,(H3,27,28)(H,29,32)