2-[5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentylamino]-N-(3,4-dimethylphenyl)ethanamide; ethanedioic acid

Systemtic Name: 2-[5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentylamino]-N-(3,4-dimethylphenyl)ethanamide; ethanedioic acid Openeye Name: 2-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-N-(3,4-dimethylphenyl)acetamide; oxalic acid CAS Name: 2-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-N-(3,4-dimethylphenyl)acetamide; oxalic acid IUPAC Name: 2-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-N-(3,4-dimethylphenyl)acetamide; oxalic acid Traditional Name: 2-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-N-(3,4-dimethylphenyl)acetamide; oxalic acid Formula: C21H28N6O5 MolecularWeight: 444.48422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNCCCCCC2=C(C(=NN2)N)C#N)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNCCCCCC2=C(C(=NN2)N)C#N)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H26N6O.C2H2O4/c1-13-7-8-15(10-14(13)2)23-18(26)12-22-9-5-3-4-6-17-16(11-20)19(21)25-24-17;3-1(4)2(5)6/h7-8,10,22H,3-6,9,12H2,1-2H3,(H,23,26)(H3,21,24,25);(H,3,4)(H,5,6)