ethanedioic acid; N-[(3-methyl-1-phenyl-5-piperidin-1-yl-pyrazol-4-yl)methyl]-2-phenyl-ethanamine

Systemtic Name: ethanedioic acid; N-[(3-methyl-1-phenyl-5-piperidin-1-yl-pyrazol-4-yl)methyl]-2-phenyl-ethanamine Openeye Name: N-[[3-methyl-1-phenyl-5-(1-piperidyl)pyrazol-4-yl]methyl]-2-phenyl-ethanamine; oxalic acid CAS Name: N-[[3-methyl-1-phenyl-5-(1-piperidinyl)-4-pyrazolyl]methyl]-2-phenylethanamine; oxalic acid IUPAC Name: N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-phenylethanamine; oxalic acid Traditional Name: (3-methyl-1-phenyl-5-piperidino-pyrazol-4-yl)methyl-phenethyl-amine; oxalic acid Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNCCC2=CC=CC=C2)N3CCCCC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NN(C(=C1CNCCC2=CC=CC=C2)N3CCCCC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H30N4.C2H2O4/c1-20-23(19-25-16-15-21-11-5-2-6-12-21)24(27-17-9-4-10-18-27)28(26-20)22-13-7-3-8-14-22;3-1(4)2(5)6/h2-3,5-8,11-14,25H,4,9-10,15-19H2,1H3;(H,3,4)(H,5,6)