2-[[(4-chlorophenyl)carbonylamino]-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]methyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[(4-chlorophenyl)carbonylamino]-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]methyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[[(4-chlorobenzoyl)amino]-[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]methyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[[(4-chlorophenyl)-oxomethyl]amino]-[(E)-[(cyanoamino)-(3-pyridinylamino)methylidene]amino]methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[(4-chlorobenzoyl)amino]-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]methyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[[(4-chlorobenzoyl)amino]-[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]methyl]pyrrolidine-1-carboxylic acid Formula: C20H20ClN7O3 MolecularWeight: 441.8709

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)O)C(NC(=O)C2=CC=C(C=C2)Cl)N=C(NC#N)NC3=CN=CC=C3

Isomeric SMILES

C1CC(N(C1)C(=O)O)C(NC(=O)C2=CC=C(C=C2)Cl)/N=C(/NC#N)\NC3=CN=CC=C3

InChI

InChI=1S/C20H20ClN7O3/c21-14-7-5-13(6-8-14)18(29)26-17(16-4-2-10-28(16)20(30)31)27-19(24-12-22)25-15-3-1-9-23-11-15/h1,3,5-9,11,16-17H,2,4,10H2,(H,26,29)(H,30,31)(H2,24,25,27)