benzoic acid; 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-6-ol

Systemtic Name: benzoic acid; 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-6-ol Openeye Name: benzoic acid; 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-6-ol CAS Name: benzoic acid; 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-6-ol IUPAC Name: benzoic acid; 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-6-ol Traditional Name: benzoic acid; 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-6-ol Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CNC2=CC(=C(C=C21)CN3C=NC=N3)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CN(C)CCC1=CNC2=CC(=C(C=C21)CN3C=NC=N3)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H19N5O.C7H6O2/c1-19(2)4-3-11-7-17-14-6-15(21)12(5-13(11)14)8-20-10-16-9-18-20;8-7(9)6-4-2-1-3-5-6/h5-7,9-10,17,21H,3-4,8H2,1-2H3;1-5H,(H,8,9)