1-[4-(2-bromoethyl)naphthalen-1-yl]-3-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]urea

Systemtic Name: 1-[4-(2-bromoethyl)naphthalen-1-yl]-3-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]urea Openeye Name: 1-[4-(2-bromoethyl)-1-naphthyl]-3-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]urea CAS Name: 1-[4-(2-bromoethyl)-1-naphthalenyl]-3-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]urea IUPAC Name: 1-[4-(2-bromoethyl)naphthalen-1-yl]-3-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]urea Traditional Name: 1-[4-(2-bromoethyl)-1-naphthyl]-3-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]urea Formula: C27H29BrN4O MolecularWeight: 505.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)CCBr

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)CCBr

InChI

InChI=1S/C27H29BrN4O/c1-18-9-12-20(13-10-18)32-25(17-24(31-32)27(2,3)4)30-26(33)29-23-14-11-19(15-16-28)21-7-5-6-8-22(21)23/h5-14,17H,15-16H2,1-4H3,(H2,29,30,33)