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

Systemtic Name: 1-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]-3-[4-(4-pyridylmethyl)phenyl]urea CAS Name: 1-[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea Traditional Name: 1-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]-3-[4-(4-pyridylmethyl)phenyl]urea Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C27H29N5O/c1-19-7-5-6-8-23(19)32-25(18-24(31-32)27(2,3)4)30-26(33)29-22-11-9-20(10-12-22)17-21-13-15-28-16-14-21/h5-16,18H,17H2,1-4H3,(H2,29,30,33)