N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-benzyl-5-tert-butyl-pyrazole-3-carboxamide CAS Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-tert-butyl-2-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-benzyl-5-tert-butylpyrazole-3-carboxamide Traditional Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-benzyl-5-tert-butyl-pyrazole-3-carboxamide Formula: C25H42N6O MolecularWeight: 442.64058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NCCCNCCCCNCCCN)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NCCCNCCCCNCCCN)CC2=CC=CC=C2

InChI

InChI=1S/C25H42N6O/c1-25(2,3)23-19-22(31(30-23)20-21-11-5-4-6-12-21)24(32)29-18-10-17-28-15-8-7-14-27-16-9-13-26/h4-6,11-12,19,27-28H,7-10,13-18,20,26H2,1-3H3,(H,29,32)