(NE)-N-[5-[1-(4-azanylbutyl)-3-pyridin-4-yl-pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine

Systemtic Name: (NE)-N-[5-[1-(4-azanylbutyl)-3-pyridin-4-yl-pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine Openeye Name: 5-[1-(4-aminobutyl)-3-(4-pyridyl)pyrazol-4-yl]indan-1-one oxime CAS Name: 5-[1-(4-aminobutyl)-3-pyridin-4-yl-4-pyrazolyl]-2,3-dihydroinden-1-one oxime IUPAC Name: (NE)-N-[5-[1-(4-aminobutyl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine Traditional Name: 5-[1-(4-aminobutyl)-3-(4-pyridyl)pyrazol-4-yl]indan-1-one oxime Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NO)C2=C1C=C(C=C2)C3=CN(N=C3C4=CC=NC=C4)CCCCN

Isomeric SMILES

C1C/C(=N\O)/C2=C1C=C(C=C2)C3=CN(N=C3C4=CC=NC=C4)CCCCN

InChI

InChI=1S/C21H23N5O/c22-9-1-2-12-26-14-19(21(24-26)15-7-10-23-11-8-15)17-3-5-18-16(13-17)4-6-20(18)25-27/h3,5,7-8,10-11,13-14,27H,1-2,4,6,9,12,22H2/b25-20+