1-[2-(3-aminophenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea

Systemtic Name: 1-[2-(3-aminophenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea Openeye Name: 1-[2-(3-aminophenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(4-pyridylmethyl)phenyl]urea CAS Name: 1-[2-(3-aminophenyl)-5-tert-butyl-3-pyrazolyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea IUPAC Name: 1-[2-(3-aminophenyl)-5-tert-butylpyrazol-3-yl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea Traditional Name: 1-[2-(3-aminophenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(4-pyridylmethyl)phenyl]urea Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)C4=CC(=CC=C4)N

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)C4=CC(=CC=C4)N

InChI

InChI=1S/C26H28N6O/c1-26(2,3)23-17-24(32(31-23)22-6-4-5-20(27)16-22)30-25(33)29-21-9-7-18(8-10-21)15-19-11-13-28-14-12-19/h4-14,16-17H,15,27H2,1-3H3,(H2,29,30,33)