N-ethylethanamine; N-[5-oxidanylidene-3-phenyl-4-phenylazanyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamide

Systemtic Name: N-ethylethanamine; N-[5-oxidanylidene-3-phenyl-4-phenylazanyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamide Openeye Name: N-[4-anilino-5-oxo-3-phenyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]acetamide; N-ethylethanamine CAS Name: N-[4-anilino-5-oxo-3-phenyl-1-(2,4,6-trimethylphenyl)-4-pyrazolyl]acetamide; N-ethylethanamine IUPAC Name: N-[4-anilino-5-oxo-3-phenyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]acetamide; N-ethylethanamine Traditional Name: N-(4-anilino-5-keto-1-mesityl-3-phenyl-2-pyrazolin-4-yl)acetamide; diethylamine Formula: C30H37N5O2 MolecularWeight: 499.64708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC1=CC(=C(C(=C1)C)N2C(=O)C(C(=N2)C3=CC=CC=C3)(NC4=CC=CC=C4)NC(=O)C)C

Isomeric SMILES

CCNCC.CC1=CC(=C(C(=C1)C)N2C(=O)C(C(=N2)C3=CC=CC=C3)(NC4=CC=CC=C4)NC(=O)C)C

InChI

InChI=1S/C26H26N4O2.C4H11N/c1-17-15-18(2)23(19(3)16-17)30-25(32)26(27-20(4)31,28-22-13-9-6-10-14-22)24(29-30)21-11-7-5-8-12-21;1-3-5-4-2/h5-16,28H,1-4H3,(H,27,31);5H,3-4H2,1-2H3