N-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[(phenylmethyl)carbamoyl-propyl-amino]ethanamide

Systemtic Name: N-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[(phenylmethyl)carbamoyl-propyl-amino]ethanamide Openeye Name: 2-[benzylcarbamoyl(propyl)amino]-N-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: N-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-2-[[oxo-[(phenylmethyl)amino]methyl]-propylamino]acetamide IUPAC Name: 2-[benzylcarbamoyl(propyl)amino]-N-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[benzylcarbamoyl(propyl)amino]-N-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]acetamide Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)C)C(C)(C)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)C)C(C)(C)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H35N5O2/c1-6-16-31(26(34)28-18-21-10-8-7-9-11-21)19-25(33)29-24-17-23(27(3,4)5)30-32(24)22-14-12-20(2)13-15-22/h7-15,17H,6,16,18-19H2,1-5H3,(H,28,34)(H,29,33)