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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-N-(pyren-1-ylmethyl)indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-(pyren-1-ylmethyl)indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-(1-pyrenylmethyl)-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-(pyren-1-ylmethyl)indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4-hydroxy-N-(pyren-1-ylmethyl)indole-2-carboxamide Formula: C34H26N4O2 MolecularWeight: 522.59584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNC(=O)C5=CC6=C(N5CC7=CC=CC(=C7)C(=N)N)C=CC=C6O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNC(=O)C5=CC6=C(N5CC7=CC=CC(=C7)C(=N)N)C=CC=C6O

InChI

InChI=1S/C34H26N4O2/c35-33(36)24-7-1-4-20(16-24)19-38-28-8-3-9-30(39)27(28)17-29(38)34(40)37-18-25-13-12-23-11-10-21-5-2-6-22-14-15-26(25)32(23)31(21)22/h1-17,39H,18-19H2,(H3,35,36)(H,37,40)