3-azanyl-5-[3-[[1-(phenylmethyl)piperidin-4-yl]amino]propyl]-1H-pyrazole-4-carbonitrile; ethanedioic acid

Systemtic Name: 3-azanyl-5-[3-[[1-(phenylmethyl)piperidin-4-yl]amino]propyl]-1H-pyrazole-4-carbonitrile; ethanedioic acid Openeye Name: 3-amino-5-[3-[(1-benzyl-4-piperidyl)amino]propyl]-1H-pyrazole-4-carbonitrile; oxalic acid CAS Name: 3-amino-5-[3-[[1-(phenylmethyl)-4-piperidinyl]amino]propyl]-1H-pyrazole-4-carbonitrile; oxalic acid IUPAC Name: 3-amino-5-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile; oxalic acid Traditional Name: 3-amino-5-[3-[(1-benzyl-4-piperidyl)amino]propyl]-1H-pyrazole-4-carbonitrile; oxalic acid Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCCCC2=C(C(=NN2)N)C#N)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1NCCCC2=C(C(=NN2)N)C#N)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H26N6.C2H2O4/c20-13-17-18(23-24-19(17)21)7-4-10-22-16-8-11-25(12-9-16)14-15-5-2-1-3-6-15;3-1(4)2(5)6/h1-3,5-6,16,22H,4,7-12,14H2,(H3,21,23,24);(H,3,4)(H,5,6)