N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]butan-2-amine; ethanedioic acid

Systemtic Name: N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]butan-2-amine; ethanedioic acid Openeye Name: N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]butan-2-amine; oxalic acid CAS Name: N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methyl]-2-butanamine; oxalic acid IUPAC Name: N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]butan-2-amine; oxalic acid Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-sec-butyl-amine; oxalic acid Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)NCC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25N3O2.C2H2O4/c1-3-16(2)23-14-18-15-25(19-7-5-4-6-8-19)24-22(18)17-9-10-20-21(13-17)27-12-11-26-20;3-1(4)2(5)6/h4-10,13,15-16,23H,3,11-12,14H2,1-2H3;(H,3,4)(H,5,6)