(2S)-1-[(Z)-2-benzamido-3-[(6-chloranylpyridazin-3-yl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(Z)-2-benzamido-3-[(6-chloranylpyridazin-3-yl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(Z)-2-benzamido-3-[(6-chloropyridazin-3-yl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(Z)-2-benzamido-3-[(6-chloro-3-pyridazinyl)amino]-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(Z)-2-benzamido-3-[(6-chloropyridazin-3-yl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(Z)-2-benzamido-3-[(6-chloropyridazin-3-yl)amino]acryloyl]proline Formula: C19H18ClN5O4 MolecularWeight: 415.83032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(=CNC2=NN=C(C=C2)Cl)NC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)/C(=C/NC2=NN=C(C=C2)Cl)/NC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H18ClN5O4/c20-15-8-9-16(24-23-15)21-11-13(22-17(26)12-5-2-1-3-6-12)18(27)25-10-4-7-14(25)19(28)29/h1-3,5-6,8-9,11,14H,4,7,10H2,(H,21,24)(H,22,26)(H,28,29)/b13-11-/t14-/m0/s1