N'-[[1-[4-(1-adamantyl)phenyl]-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]pyridine-3-carbohydrazide

Systemtic Name: N'-[[1-[4-(1-adamantyl)phenyl]-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]pyridine-3-carbohydrazide Openeye Name: N'-[[1-[4-(1-adamantyl)phenyl]-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]pyridine-3-carbohydrazide CAS Name: N'-[[1-[4-(1-adamantyl)phenyl]-3-methyl-5-oxo-4-pyrazolylidene]methyl]-3-pyridinecarbohydrazide IUPAC Name: N'-[[1-[4-(1-adamantyl)phenyl]-3-methyl-5-oxopyrazol-4-ylidene]methyl]pyridine-3-carbohydrazide Traditional Name: N'-[[1-[4-(1-adamantyl)phenyl]-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]nicotinohydrazide Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNNC(=O)C2=CN=CC=C2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=NN(C(=O)C1=CNNC(=O)C2=CN=CC=C2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N5O2/c1-17-24(16-29-30-25(33)21-3-2-8-28-15-21)26(34)32(31-17)23-6-4-22(5-7-23)27-12-18-9-19(13-27)11-20(10-18)14-27/h2-8,15-16,18-20,29H,9-14H2,1H3,(H,30,33)