methyl 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylate

Systemtic Name: methyl 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylate Openeye Name: methyl 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylate CAS Name: 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylate Traditional Name: 3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylic acid methyl ester Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O2/c1-21(2)7-6-13-14-8-12(9-22-11-18-10-19-22)4-5-15(14)20-16(13)17(23)24-3/h4-5,8,10-11,20H,6-7,9H2,1-3H3