1-[(3-carbamimidoylphenyl)methyl]-4,5-dimethoxy-N-(pyridin-4-ylmethyl)indole-2-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-4,5-dimethoxy-N-(pyridin-4-ylmethyl)indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4,5-dimethoxy-N-(4-pyridylmethyl)indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4,5-dimethoxy-N-(pyridin-4-ylmethyl)-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4,5-dimethoxy-N-(pyridin-4-ylmethyl)indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-4,5-dimethoxy-N-(4-pyridylmethyl)indole-2-carboxamide Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)N(C(=C2)C(=O)NCC3=CC=NC=C3)CC4=CC=CC(=C4)C(=N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)N(C(=C2)C(=O)NCC3=CC=NC=C3)CC4=CC=CC(=C4)C(=N)N)OC

InChI

InChI=1S/C25H25N5O3/c1-32-22-7-6-20-19(23(22)33-2)13-21(25(31)29-14-16-8-10-28-11-9-16)30(20)15-17-4-3-5-18(12-17)24(26)27/h3-13H,14-15H2,1-2H3,(H3,26,27)(H,29,31)