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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-N-[phenyl(pyridin-4-yl)methyl]indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-N-[phenyl(4-pyridyl)methyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-N-[phenyl(pyridin-4-yl)methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-N-[phenyl(pyridin-4-yl)methyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4-methoxy-N-[phenyl(4-pyridyl)methyl]indole-2-carboxamide Formula: C30H27N5O2 MolecularWeight: 489.56768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=C(N2CC3=CC=CC(=C3)C(=N)N)C(=O)NC(C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=CC2=C1C=C(N2CC3=CC=CC(=C3)C(=N)N)C(=O)NC(C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C30H27N5O2/c1-37-27-12-6-11-25-24(27)18-26(35(25)19-20-7-5-10-23(17-20)29(31)32)30(36)34-28(21-8-3-2-4-9-21)22-13-15-33-16-14-22/h2-18,28H,19H2,1H3,(H3,31,32)(H,34,36)