N-[3-oxidanylidene-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]adamantane-1-carboxamide Openeye Name: N-[3-oxo-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]adamantane-1-carboxamide CAS Name: N-[3-oxo-3-[[2-(1-pyrazolylmethyl)phenyl]methylamino]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-oxo-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[[2-(pyrazol-1-ylmethyl)benzyl]amino]propyl]adamantane-1-carboxamide Formula: C25H32N4O2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)NCC4=CC=CC=C4CN5C=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)NCC4=CC=CC=C4CN5C=CC=N5

InChI

InChI=1S/C25H32N4O2/c30-23(27-16-21-4-1-2-5-22(21)17-29-9-3-7-28-29)6-8-26-24(31)25-13-18-10-19(14-25)12-20(11-18)15-25/h1-5,7,9,18-20H,6,8,10-17H2,(H,26,31)(H,27,30)