3-[1-(2-azanylethyl)-3,5-diethyl-pyrazol-4-yl]oxy-5-methyl-benzenecarbonitrile; butanedioic acid

Systemtic Name: 3-[1-(2-azanylethyl)-3,5-diethyl-pyrazol-4-yl]oxy-5-methyl-benzenecarbonitrile; butanedioic acid Openeye Name: 3-[1-(2-aminoethyl)-3,5-diethyl-pyrazol-4-yl]oxy-5-methyl-benzonitrile; succinic acid CAS Name: 3-[[1-(2-aminoethyl)-3,5-diethyl-4-pyrazolyl]oxy]-5-methylbenzonitrile; butanedioic acid IUPAC Name: 3-[1-(2-aminoethyl)-3,5-diethylpyrazol-4-yl]oxy-5-methylbenzonitrile; butanedioic acid Traditional Name: 3-[1-(2-aminoethyl)-3,5-diethyl-pyrazol-4-yl]oxy-5-methyl-benzonitrile; succinic acid Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCN)CC)OC2=CC(=CC(=C2)C)C#N.C(CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1CCN)CC)OC2=CC(=CC(=C2)C)C#N.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H22N4O.C4H6O4/c1-4-15-17(16(5-2)21(20-15)7-6-18)22-14-9-12(3)8-13(10-14)11-19;5-3(6)1-2-4(7)8/h8-10H,4-7,18H2,1-3H3;1-2H2,(H,5,6)(H,7,8)