N-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]adamantane-1-carboxamide

Systemtic Name: N-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]adamantane-1-carboxamide Openeye Name: N-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]adamantane-1-carboxamide CAS Name: N-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-1-adamantanecarboxamide IUPAC Name: N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide Traditional Name: N-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]adamantane-1-carboxamide Formula: C22H25ClN4O MolecularWeight: 396.9131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)C23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C=NNC(=O)C23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

InChI

InChI=1S/C22H25ClN4O/c1-14-19(20(23)27(26-14)18-5-3-2-4-6-18)13-24-25-21(28)22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,13,15-17H,7-12H2,1H3,(H,25,28)