N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-2-[3-methylbutyl-[(phenylmethyl)carbamoyl]amino]ethanamide

Systemtic Name: N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-2-[3-methylbutyl-[(phenylmethyl)carbamoyl]amino]ethanamide Openeye Name: 2-[benzylcarbamoyl(isopentyl)amino]-N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]acetamide CAS Name: N-[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]-2-[3-methylbutyl-[oxo-[(phenylmethyl)amino]methyl]amino]acetamide IUPAC Name: 2-[benzylcarbamoyl(3-methylbutyl)amino]-N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[benzylcarbamoyl(isoamyl)amino]-N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]acetamide Formula: C29H39N5O2 MolecularWeight: 489.65226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCC(C)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCC(C)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C29H39N5O2/c1-21(2)15-16-33(28(36)30-19-23-12-8-7-9-13-23)20-27(35)31-26-18-25(29(4,5)6)32-34(26)24-14-10-11-22(3)17-24/h7-14,17-18,21H,15-16,19-20H2,1-6H3,(H,30,36)(H,31,35)