N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-(6-methoxynaphthalen-2-yl)methanamine; ethanedioic acid

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-(6-methoxynaphthalen-2-yl)methanamine; ethanedioic acid Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-(6-methoxy-2-naphthyl)methanamine; oxalic acid CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-(6-methoxy-2-naphthalenyl)methanamine; oxalic acid IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(6-methoxynaphthalen-2-yl)methanamine; oxalic acid Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(6-methoxy-2-naphthyl)methyl]amine; oxalic acid Formula: C26H27N3O5 MolecularWeight: 461.50968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNCC3=CC4=C(C=C3)C=C(C=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNCC3=CC4=C(C=C3)C=C(C=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H25N3O.C2H2O4/c1-17-24(18(2)27(26-17)22-7-5-4-6-8-22)16-25-15-19-9-10-21-14-23(28-3)12-11-20(21)13-19;3-1(4)2(5)6/h4-14,25H,15-16H2,1-3H3;(H,3,4)(H,5,6)