1-[3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)indol-1-yl]ethanone

Systemtic Name: 1-[3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)indol-1-yl]ethanone Openeye Name: 1-[3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)indol-1-yl]ethanone CAS Name: 1-[3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)-1-indolyl]ethanone IUPAC Name: 1-[3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)indol-1-yl]ethanone Traditional Name: 1-[3-(2-dimethylaminoethyl)-5-(1,2,4-triazol-1-ylmethyl)indol-1-yl]ethanone Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=C1C=CC(=C2)CN3C=NC=N3)CCN(C)C

Isomeric SMILES

CC(=O)N1C=C(C2=C1C=CC(=C2)CN3C=NC=N3)CCN(C)C

InChI

InChI=1S/C17H21N5O/c1-13(23)22-10-15(6-7-20(2)3)16-8-14(4-5-17(16)22)9-21-12-18-11-19-21/h4-5,8,10-12H,6-7,9H2,1-3H3