3-(1-adamantyl)-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-1-phenyl-N-[3-(1-pyrazolylmethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide Formula: C30H31N5O MolecularWeight: 477.60004

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CC=CC(=C5)CN6C=CC=N6)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CC=CC(=C5)CN6C=CC=N6)C7=CC=CC=C7

InChI

InChI=1S/C30H31N5O/c36-29(32-25-7-4-6-21(15-25)19-34-11-5-10-31-34)27-20-35(26-8-2-1-3-9-26)33-28(27)30-16-22-12-23(17-30)14-24(13-22)18-30/h1-11,15,20,22-24H,12-14,16-19H2,(H,32,36)