5-[5-azanyl-3-(morpholin-4-ylmethyl)-4-phenyl-pyrazol-1-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[5-azanyl-3-(morpholin-4-ylmethyl)-4-phenyl-pyrazol-1-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[5-amino-3-(morpholinomethyl)-4-phenyl-pyrazol-1-yl]-2-chloro-benzoic acid CAS Name: 5-[5-amino-3-(4-morpholinylmethyl)-4-phenyl-1-pyrazolyl]-2-chlorobenzoic acid IUPAC Name: 5-[5-amino-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-1-yl]-2-chlorobenzoic acid Traditional Name: 5-[5-amino-3-(morpholinomethyl)-4-phenyl-pyrazol-1-yl]-2-chloro-benzoic acid Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1COCCN1CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C21H21ClN4O3/c22-17-7-6-15(12-16(17)21(27)28)26-20(23)19(14-4-2-1-3-5-14)18(24-26)13-25-8-10-29-11-9-25/h1-7,12H,8-11,13,23H2,(H,27,28)