3-(1-adamantyl)-1-phenyl-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-1-phenyl-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(1-benzyl-1,2,4-triazol-3-yl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-1-phenyl-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(1-benzyl-1,2,4-triazol-3-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(1-benzyl-1,2,4-triazol-3-yl)-1-phenyl-pyrazole-4-carboxamide Formula: C29H30N6O MolecularWeight: 478.5881

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=NN(C=N5)CC6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=NN(C=N5)CC6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C29H30N6O/c36-27(31-28-30-19-34(33-28)17-20-7-3-1-4-8-20)25-18-35(24-9-5-2-6-10-24)32-26(25)29-14-21-11-22(15-29)13-23(12-21)16-29/h1-10,18-19,21-23H,11-17H2,(H,31,33,36)