ethanedioic acid; 3-indol-1-yl-N-[(2-phenyl-1,2,3-triazol-4-yl)methyl]propan-1-amine

Systemtic Name: ethanedioic acid; 3-indol-1-yl-N-[(2-phenyl-1,2,3-triazol-4-yl)methyl]propan-1-amine Openeye Name: 3-indol-1-yl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine; oxalic acid CAS Name: 3-(1-indolyl)-N-[(2-phenyl-4-triazolyl)methyl]-1-propanamine; oxalic acid IUPAC Name: 3-indol-1-yl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine; oxalic acid Traditional Name: 3-indol-1-ylpropyl-[(2-phenyltriazol-4-yl)methyl]amine; oxalic acid Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=CC(=N2)CNCCCN3C=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)N2N=CC(=N2)CNCCCN3C=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H21N5.C2H2O4/c1-2-8-19(9-3-1)25-22-16-18(23-25)15-21-12-6-13-24-14-11-17-7-4-5-10-20(17)24;3-1(4)2(5)6/h1-5,7-11,14,16,21H,6,12-13,15H2;(H,3,4)(H,5,6)