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

Systemtic Name: 1-[5-tert-butyl-2-(3-methoxyphenyl)pyrazol-3-yl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(3-methoxyphenyl)pyrazol-3-yl]-3-[4-(4-pyridylmethyl)phenyl]urea CAS Name: 1-[5-tert-butyl-2-(3-methoxyphenyl)-3-pyrazolyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(3-methoxyphenyl)pyrazol-3-yl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea Traditional Name: 1-[5-tert-butyl-2-(3-methoxyphenyl)pyrazol-3-yl]-3-[4-(4-pyridylmethyl)phenyl]urea Formula: C27H29N5O2 MolecularWeight: 455.55146

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O2/c1-27(2,3)24-18-25(32(31-24)22-6-5-7-23(17-22)34-4)30-26(33)29-21-10-8-19(9-11-21)16-20-12-14-28-15-13-20/h5-15,17-18H,16H2,1-4H3,(H2,29,30,33)