N-(1-adamantyl)-4-[[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]benzamide

Systemtic Name: N-(1-adamantyl)-4-[[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]benzamide Openeye Name: N-(1-adamantyl)-4-[[1-(4-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]benzamide CAS Name: N-(1-adamantyl)-4-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]benzamide IUPAC Name: N-(1-adamantyl)-4-[[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]benzamide Traditional Name: N-(1-adamantyl)-4-[[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]benzamide Formula: C28H29ClN4O2 MolecularWeight: 489.00846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C28H29ClN4O2/c1-17-25(27(35)33(32-17)24-8-4-22(29)5-9-24)16-30-23-6-2-21(3-7-23)26(34)31-28-13-18-10-19(14-28)12-20(11-18)15-28/h2-9,16,18-20,30H,10-15H2,1H3,(H,31,34)