3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylic acid

Systemtic Name: 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylic acid Openeye Name: 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylic acid CAS Name: 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylic acid IUPAC Name: 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylic acid Traditional Name: 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylic acid Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=C(NC2=C1C=C(C=C2)CN3C=NC=N3)C(=O)O

Isomeric SMILES

CN(C)CCC1=C(NC2=C1C=C(C=C2)CN3C=NC=N3)C(=O)O

InChI

InChI=1S/C16H19N5O2/c1-20(2)6-5-12-13-7-11(8-21-10-17-9-18-21)3-4-14(13)19-15(12)16(22)23/h3-4,7,9-10,19H,5-6,8H2,1-2H3,(H,22,23)