4-chloranyl-N-[(E)-[3-(2,5-diphenylpyrazol-3-yl)-3-methyl-butan-2-ylidene]amino]benzamide

Systemtic Name: 4-chloranyl-N-[(E)-[3-(2,5-diphenylpyrazol-3-yl)-3-methyl-butan-2-ylidene]amino]benzamide Openeye Name: 4-chloro-N-[(E)-[2-(2,5-diphenylpyrazol-3-yl)-1,2-dimethyl-propylidene]amino]benzamide CAS Name: 4-chloro-N-[(E)-[3-(2,5-diphenyl-3-pyrazolyl)-3-methylbutan-2-ylidene]amino]benzamide IUPAC Name: 4-chloro-N-[(E)-[3-(2,5-diphenylpyrazol-3-yl)-3-methylbutan-2-ylidene]amino]benzamide Traditional Name: 4-chloro-N-[(E)-[2-(2,5-diphenylpyrazol-3-yl)-1,2-dimethyl-propylidene]amino]benzamide Formula: C27H25ClN4O MolecularWeight: 456.9666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)Cl)C(C)(C)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)Cl)/C(C)(C)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25ClN4O/c1-19(29-30-26(33)21-14-16-22(28)17-15-21)27(2,3)25-18-24(20-10-6-4-7-11-20)31-32(25)23-12-8-5-9-13-23/h4-18H,1-3H3,(H,30,33)/b29-19+