2-[(4-carbamimidoylphenyl)methylamino]-N-[2-oxidanylidene-2-(2-pyridin-2-ylethylamino)ethyl]-2-(1H-pyrrol-2-yl)ethanamide

Systemtic Name: 2-[(4-carbamimidoylphenyl)methylamino]-N-[2-oxidanylidene-2-(2-pyridin-2-ylethylamino)ethyl]-2-(1H-pyrrol-2-yl)ethanamide Openeye Name: 2-[(4-carbamimidoylphenyl)methylamino]-N-[2-oxo-2-[2-(2-pyridyl)ethylamino]ethyl]-2-(1H-pyrrol-2-yl)acetamide CAS Name: 2-[(4-carbamimidoylphenyl)methylamino]-N-[2-oxo-2-[2-(2-pyridinyl)ethylamino]ethyl]-2-(1H-pyrrol-2-yl)acetamide IUPAC Name: 2-[(4-carbamimidoylphenyl)methylamino]-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-2-(1H-pyrrol-2-yl)acetamide Traditional Name: 2-[(4-amidinobenzyl)amino]-N-[2-keto-2-[2-(2-pyridyl)ethylamino]ethyl]-2-(1H-pyrrol-2-yl)acetamide Formula: C23H27N7O2 MolecularWeight: 433.50618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNC(=O)CNC(=O)C(C2=CC=CN2)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=NC(=C1)CCNC(=O)CNC(=O)C(C2=CC=CN2)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H27N7O2/c24-22(25)17-8-6-16(7-9-17)14-29-21(19-5-3-12-27-19)23(32)30-15-20(31)28-13-10-18-4-1-2-11-26-18/h1-9,11-12,21,27,29H,10,13-15H2,(H3,24,25)(H,28,31)(H,30,32)