N-(1-adamantylmethyl)-5-[(3-azanylpropylamino)methyl]-2-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-5-[(3-azanylpropylamino)methyl]-2-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-5-[(3-aminopropylamino)methyl]-2-isopropyl-pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-5-[(3-aminopropylamino)methyl]-2-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-5-[(3-aminopropylamino)methyl]-2-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-5-[(3-aminopropylamino)methyl]-2-isopropyl-pyrazole-3-carboxamide Formula: C22H37N5O MolecularWeight: 387.56208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC(=N1)CNCCCN)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)N1C(=CC(=N1)CNCCCN)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H37N5O/c1-15(2)27-20(9-19(26-27)13-24-5-3-4-23)21(28)25-14-22-10-16-6-17(11-22)8-18(7-16)12-22/h9,15-18,24H,3-8,10-14,23H2,1-2H3,(H,25,28)