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

Systemtic Name: N-[(3-aminocarbonylphenyl)methyl]-1-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(3-carbamoylphenyl)methyl]-4-hydroxy-indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(3-carbamoylphenyl)methyl]-4-hydroxy-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[(3-carbamoylphenyl)methyl]-4-hydroxyindole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-N-(3-carbamoylbenzyl)-4-hydroxy-indole-2-carboxamide Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC=C3O)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC=C3O)C(=O)N

InChI

InChI=1S/C25H23N5O3/c26-23(27)17-6-2-5-16(11-17)14-30-20-8-3-9-22(31)19(20)12-21(30)25(33)29-13-15-4-1-7-18(10-15)24(28)32/h1-12,31H,13-14H2,(H3,26,27)(H2,28,32)(H,29,33)