N-[(E)-[1-(2-cyanoethyl)-3-methyl-pyrazol-4-yl]methylideneamino]adamantane-1-carboxamide

Systemtic Name: N-[(E)-[1-(2-cyanoethyl)-3-methyl-pyrazol-4-yl]methylideneamino]adamantane-1-carboxamide Openeye Name: N-[(E)-[1-(2-cyanoethyl)-3-methyl-pyrazol-4-yl]methyleneamino]adamantane-1-carboxamide CAS Name: N-[(E)-[1-(2-cyanoethyl)-3-methyl-4-pyrazolyl]methylideneamino]-1-adamantanecarboxamide IUPAC Name: N-[(E)-[1-(2-cyanoethyl)-3-methylpyrazol-4-yl]methylideneamino]adamantane-1-carboxamide Traditional Name: N-[(E)-[1-(2-cyanoethyl)-3-methyl-pyrazol-4-yl]methyleneamino]adamantane-1-carboxamide Formula: C19H25N5O MolecularWeight: 339.4347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C=NNC(=O)C23CC4CC(C2)CC(C4)C3)CCC#N

Isomeric SMILES

CC1=NN(C=C1/C=N/NC(=O)C23CC4CC(C2)CC(C4)C3)CCC#N

InChI

InChI=1S/C19H25N5O/c1-13-17(12-24(23-13)4-2-3-20)11-21-22-18(25)19-8-14-5-15(9-19)7-16(6-14)10-19/h11-12,14-16H,2,4-10H2,1H3,(H,22,25)/b21-11+