ethanedioic acid; 3-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: ethanedioic acid; 3-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-yl-propan-1-one; oxalic acid CAS Name: oxalic acid; 3-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one; oxalic acid Traditional Name: 3-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylamino]-1-pyrrolidino-propan-1-one; oxalic acid Formula: C26H30N4O5 MolecularWeight: 478.5402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCNCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)C(=O)CCNCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H28N4O.C2H2O4/c29-23(27-15-7-8-16-27)13-14-25-17-22-19-28(18-20-9-3-1-4-10-20)26-24(22)21-11-5-2-6-12-21;3-1(4)2(5)6/h1-6,9-12,19,25H,7-8,13-18H2;(H,3,4)(H,5,6)