1-[(3-carbamimidoylphenyl)methyl]-N-[phenyl(pyridin-4-yl)methyl]indole-2-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[phenyl(pyridin-4-yl)methyl]indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[phenyl(4-pyridyl)methyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[phenyl(pyridin-4-yl)methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-N-[phenyl(pyridin-4-yl)methyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-N-[phenyl(4-pyridyl)methyl]indole-2-carboxamide Formula: C29H25N5O MolecularWeight: 459.5417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=NC=C2)NC(=O)C3=CC4=CC=CC=C4N3CC5=CC=CC(=C5)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=NC=C2)NC(=O)C3=CC4=CC=CC=C4N3CC5=CC=CC(=C5)C(=N)N

InChI

InChI=1S/C29H25N5O/c30-28(31)24-11-6-7-20(17-24)19-34-25-12-5-4-10-23(25)18-26(34)29(35)33-27(21-8-2-1-3-9-21)22-13-15-32-16-14-22/h1-18,27H,19H2,(H3,30,31)(H,33,35)