ethanedioic acid; 3-[3-phenyl-4-[(3-propan-2-yloxypropylamino)methyl]pyrazol-1-yl]propanenitrile

Systemtic Name: ethanedioic acid; 3-[3-phenyl-4-[(3-propan-2-yloxypropylamino)methyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(3-isopropoxypropylamino)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile; oxalic acid CAS Name: oxalic acid; 3-[3-phenyl-4-[(3-propan-2-yloxypropylamino)methyl]-1-pyrazolyl]propanenitrile IUPAC Name: oxalic acid; 3-[3-phenyl-4-[(3-propan-2-yloxypropylamino)methyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(3-isopropoxypropylamino)methyl]-3-phenyl-pyrazol-1-yl]propionitrile; oxalic acid Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNCC1=CN(N=C1C2=CC=CC=C2)CCC#N.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)OCCCNCC1=CN(N=C1C2=CC=CC=C2)CCC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H26N4O.C2H2O4/c1-16(2)24-13-7-11-21-14-18-15-23(12-6-10-20)22-19(18)17-8-4-3-5-9-17;3-1(4)2(5)6/h3-5,8-9,15-16,21H,6-7,11-14H2,1-2H3;(H,3,4)(H,5,6)