N-(2-azanyl-5-tert-butyl-4-chloranyl-pyrazol-3-yl)-2-(chloromethyl)-3-phenyl-propanamide

Systemtic Name: N-(2-azanyl-5-tert-butyl-4-chloranyl-pyrazol-3-yl)-2-(chloromethyl)-3-phenyl-propanamide Openeye Name: N-(2-amino-5-tert-butyl-4-chloro-pyrazol-3-yl)-2-benzyl-3-chloro-propanamide CAS Name: N-(2-amino-5-tert-butyl-4-chloro-3-pyrazolyl)-2-(chloromethyl)-3-phenylpropanamide IUPAC Name: N-(2-amino-5-tert-butyl-4-chloropyrazol-3-yl)-2-benzyl-3-chloropropanamide Traditional Name: N-(2-amino-5-tert-butyl-4-chloro-pyrazol-3-yl)-2-benzyl-3-chloro-propionamide Formula: C17H22Cl2N4O MolecularWeight: 369.28878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1Cl)NC(=O)C(CC2=CC=CC=C2)CCl)N

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1Cl)NC(=O)C(CC2=CC=CC=C2)CCl)N

InChI

InChI=1S/C17H22Cl2N4O/c1-17(2,3)14-13(19)15(23(20)22-14)21-16(24)12(10-18)9-11-7-5-4-6-8-11/h4-8,12H,9-10,20H2,1-3H3,(H,21,24)