N-[4-acetamido-1-(4-chlorophenyl)-5-oxidanylidene-4-phenylazanyl-pyrazol-3-yl]benzamide; N-ethylethanamine

Systemtic Name: N-[4-acetamido-1-(4-chlorophenyl)-5-oxidanylidene-4-phenylazanyl-pyrazol-3-yl]benzamide; N-ethylethanamine Openeye Name: N-[4-acetamido-4-anilino-1-(4-chlorophenyl)-5-oxo-pyrazol-3-yl]benzamide; N-ethylethanamine CAS Name: N-[4-acetamido-4-anilino-1-(4-chlorophenyl)-5-oxo-3-pyrazolyl]benzamide; N-ethylethanamine IUPAC Name: N-[4-acetamido-4-anilino-1-(4-chlorophenyl)-5-oxopyrazol-3-yl]benzamide; N-ethylethanamine Traditional Name: N-[4-acetamido-4-anilino-1-(4-chlorophenyl)-5-keto-2-pyrazolin-3-yl]benzamide; diethylamine Formula: C28H31ClN6O3 MolecularWeight: 535.03714

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC(=O)NC1(C(=NN(C1=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CCNCC.CC(=O)NC1(C(=NN(C1=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C24H20ClN5O3.C4H11N/c1-16(31)27-24(28-19-10-6-3-7-11-19)22(26-21(32)17-8-4-2-5-9-17)29-30(23(24)33)20-14-12-18(25)13-15-20;1-3-5-4-2/h2-15,28H,1H3,(H,27,31)(H,26,29,32);5H,3-4H2,1-2H3