3-chloranyl-N-(phenylmethyl)propanamide; 1-(4-chlorophenyl)-5-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 3-chloranyl-N-(phenylmethyl)propanamide; 1-(4-chlorophenyl)-5-phenyl-pyrazole-3-carboxylic acid Openeye Name: N-benzyl-3-chloro-propanamide; 1-(4-chlorophenyl)-5-phenyl-pyrazole-3-carboxylic acid CAS Name: 3-chloro-N-(phenylmethyl)propanamide; 1-(4-chlorophenyl)-5-phenyl-3-pyrazolecarboxylic acid IUPAC Name: N-benzyl-3-chloropropanamide; 1-(4-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid Traditional Name: N-benzyl-3-chloro-propionamide; 1-(4-chlorophenyl)-5-phenyl-pyrazole-3-carboxylic acid Formula: C26H23Cl2N3O3 MolecularWeight: 496.38512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCCl.C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCl.C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H11ClN2O2.C10H12ClNO/c17-12-6-8-13(9-7-12)19-15(10-14(18-19)16(20)21)11-4-2-1-3-5-11;11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-10H,(H,20,21);1-5H,6-8H2,(H,12,13)