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

Systemtic Name: N-[(E)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]adamantane-1-carboxamide Openeye Name: N-[(E)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]adamantane-1-carboxamide CAS Name: N-[(E)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-1-adamantanecarboxamide IUPAC Name: N-[(E)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]adamantane-1-carboxamide Traditional Name: N-[(E)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]adamantane-1-carboxamide Formula: C24H27N5O MolecularWeight: 401.50408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NN=CC4=CN(N=C4C5=CC=CC=C5)CCC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N/N=C/C4=CN(N=C4C5=CC=CC=C5)CCC#N

InChI

InChI=1S/C24H27N5O/c25-7-4-8-29-16-21(22(28-29)20-5-2-1-3-6-20)15-26-27-23(30)24-12-17-9-18(13-24)11-19(10-17)14-24/h1-3,5-6,15-19H,4,8-14H2,(H,27,30)/b26-15+