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

Systemtic Name: 1-[2-[3-(2-azanylethyl)phenyl]-5-tert-butyl-pyrazol-3-yl]-3-(4-chlorophenyl)urea Openeye Name: 1-[2-[3-(2-aminoethyl)phenyl]-5-tert-butyl-pyrazol-3-yl]-3-(4-chlorophenyl)urea CAS Name: 1-[2-[3-(2-aminoethyl)phenyl]-5-tert-butyl-3-pyrazolyl]-3-(4-chlorophenyl)urea IUPAC Name: 1-[2-[3-(2-aminoethyl)phenyl]-5-tert-butylpyrazol-3-yl]-3-(4-chlorophenyl)urea Traditional Name: 1-[2-[3-(2-aminoethyl)phenyl]-5-tert-butyl-pyrazol-3-yl]-3-(4-chlorophenyl)urea Formula: C22H26ClN5O MolecularWeight: 411.92774

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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=CC(=C3)CCN

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN5O/c1-22(2,3)19-14-20(26-21(29)25-17-9-7-16(23)8-10-17)28(27-19)18-6-4-5-15(13-18)11-12-24/h4-10,13-14H,11-12,24H2,1-3H3,(H2,25,26,29)