5-azanyl-1-tert-butyl-3-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyrazole-4-carboxamide

Systemtic Name: 5-azanyl-1-tert-butyl-3-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyrazole-4-carboxamide Openeye Name: 5-amino-1-tert-butyl-3-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyrazole-4-carboxamide CAS Name: 5-amino-1-tert-butyl-3-[4-[[(3-chloroanilino)-oxomethyl]amino]phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-amino-1-tert-butyl-3-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyrazole-4-carboxamide Traditional Name: 5-amino-1-tert-butyl-3-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyrazole-4-carboxamide Formula: C21H23ClN6O2 MolecularWeight: 426.89932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N)N

Isomeric SMILES

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N)N

InChI

InChI=1S/C21H23ClN6O2/c1-21(2,3)28-18(23)16(19(24)29)17(27-28)12-7-9-14(10-8-12)25-20(30)26-15-6-4-5-13(22)11-15/h4-11H,23H2,1-3H3,(H2,24,29)(H2,25,26,30)