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

Systemtic Name: 3-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-phenyl]propanamide Openeye Name: 3-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]propanamide CAS Name: 3-[3-bromo-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-hydroxyphenyl]propanamide IUPAC Name: 3-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxyphenyl]propanamide Traditional Name: 3-[3-(5-amidino-3-benzyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]propionamide Formula: C25H23BrN4O2 MolecularWeight: 491.37972

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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)CCC(=O)N

Isomeric SMILES

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

InChI

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