ethyl 3-(2-azanylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CN3C=NC=N3)CCN

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CN3C=NC=N3)CCN

InChI

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