4-[4-[[2-[(3-carbamimidoylphenyl)amino]-3-pyridin-4-yl-propanoyl]amino]phenyl]pyridine-2-carboxamide

Systemtic Name: 4-[4-[[2-[(3-carbamimidoylphenyl)amino]-3-pyridin-4-yl-propanoyl]amino]phenyl]pyridine-2-carboxamide Openeye Name: 4-[4-[[2-(3-carbamimidoylanilino)-3-(4-pyridyl)propanoyl]amino]phenyl]pyridine-2-carboxamide CAS Name: 4-[4-[[2-(3-carbamimidoylanilino)-1-oxo-3-pyridin-4-ylpropyl]amino]phenyl]-2-pyridinecarboxamide IUPAC Name: 4-[4-[[2-(3-carbamimidoylanilino)-3-pyridin-4-ylpropanoyl]amino]phenyl]pyridine-2-carboxamide Traditional Name: 4-[4-[[2-(3-amidinoanilino)-3-(4-pyridyl)propanoyl]amino]phenyl]picolinamide Formula: C27H25N7O2 MolecularWeight: 479.5331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(CC2=CC=NC=C2)C(=O)NC3=CC=C(C=C3)C4=CC(=NC=C4)C(=O)N)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(CC2=CC=NC=C2)C(=O)NC3=CC=C(C=C3)C4=CC(=NC=C4)C(=O)N)C(=N)N

InChI

InChI=1S/C27H25N7O2/c28-25(29)20-2-1-3-22(15-20)33-24(14-17-8-11-31-12-9-17)27(36)34-21-6-4-18(5-7-21)19-10-13-32-23(16-19)26(30)35/h1-13,15-16,24,33H,14H2,(H3,28,29)(H2,30,35)(H,34,36)