N-[[4-carbamimidoyl-2-[[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]amino]phenyl]methyl]-3-chloranyl-benzamide

Systemtic Name: N-[[4-carbamimidoyl-2-[[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]amino]phenyl]methyl]-3-chloranyl-benzamide Openeye Name: N-[[4-carbamimidoyl-2-[[2-oxo-2-(2-pyridylamino)ethyl]amino]phenyl]methyl]-3-chloro-benzamide CAS Name: N-[[4-carbamimidoyl-2-[[2-oxo-2-(2-pyridinylamino)ethyl]amino]phenyl]methyl]-3-chlorobenzamide IUPAC Name: N-[[4-carbamimidoyl-2-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]phenyl]methyl]-3-chlorobenzamide Traditional Name: N-[4-amidino-2-[[2-keto-2-(2-pyridylamino)ethyl]amino]benzyl]-3-chloro-benzamide Formula: C22H21ClN6O2 MolecularWeight: 436.89414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC(=O)CNC2=C(C=CC(=C2)C(=N)N)CNC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=NC(=C1)NC(=O)CNC2=C(C=CC(=C2)C(=N)N)CNC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H21ClN6O2/c23-17-5-3-4-15(10-17)22(31)28-12-16-8-7-14(21(24)25)11-18(16)27-13-20(30)29-19-6-1-2-9-26-19/h1-11,27H,12-13H2,(H3,24,25)(H,28,31)(H,26,29,30)