1-[2-[4-(aminomethyl)phenyl]-5-tert-butyl-pyrazol-3-yl]-3-(4-chlorophenyl)urea

Systemtic Name: 1-[2-[4-(aminomethyl)phenyl]-5-tert-butyl-pyrazol-3-yl]-3-(4-chlorophenyl)urea Openeye Name: 1-[2-[4-(aminomethyl)phenyl]-5-tert-butyl-pyrazol-3-yl]-3-(4-chlorophenyl)urea CAS Name: 1-[2-[4-(aminomethyl)phenyl]-5-tert-butyl-3-pyrazolyl]-3-(4-chlorophenyl)urea IUPAC Name: 1-[2-[4-(aminomethyl)phenyl]-5-tert-butylpyrazol-3-yl]-3-(4-chlorophenyl)urea Traditional Name: 1-[2-[4-(aminomethyl)phenyl]-5-tert-butyl-pyrazol-3-yl]-3-(4-chlorophenyl)urea Formula: C21H24ClN5O MolecularWeight: 397.90116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)CN

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)CN

InChI

InChI=1S/C21H24ClN5O/c1-21(2,3)18-12-19(25-20(28)24-16-8-6-15(22)7-9-16)27(26-18)17-10-4-14(13-23)5-11-17/h4-12H,13,23H2,1-3H3,(H2,24,25,28)