N-(1-adamantyl)-N-(2-cyanoethyl)-2,5-diphenyl-pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2,5-diphenyl-pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2,5-diphenyl-pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2,5-diphenyl-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2,5-diphenylpyrazole-3-carboxamide Traditional Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2,5-diphenyl-pyrazole-3-carboxamide Formula: C29H30N4O MolecularWeight: 450.5747

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)C4=CC(=NN4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)C4=CC(=NN4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H30N4O/c30-12-7-13-32(29-18-21-14-22(19-29)16-23(15-21)20-29)28(34)27-17-26(24-8-3-1-4-9-24)31-33(27)25-10-5-2-6-11-25/h1-6,8-11,17,21-23H,7,13-16,18-20H2