[5-bromanyl-2-[3-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-triazol-4-yl]phenyl]-pyridin-2-yl-methanone

Systemtic Name: [5-bromanyl-2-[3-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-triazol-4-yl]phenyl]-pyridin-2-yl-methanone Openeye Name: [5-bromo-2-[3-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone CAS Name: [5-bromo-2-[3-[(4-ethyl-1-piperazinyl)methyl]-1,2,4-triazol-4-yl]phenyl]-(2-pyridinyl)methanone IUPAC Name: [5-bromo-2-[3-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-triazol-4-yl]phenyl]-pyridin-2-ylmethanone Traditional Name: [5-bromo-2-[3-[(4-ethylpiperazino)methyl]-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone Formula: C21H23BrN6O MolecularWeight: 455.35092

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NN=CN2C3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=N4

Isomeric SMILES

CCN1CCN(CC1)CC2=NN=CN2C3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C21H23BrN6O/c1-2-26-9-11-27(12-10-26)14-20-25-24-15-28(20)19-7-6-16(22)13-17(19)21(29)18-5-3-4-8-23-18/h3-8,13,15H,2,9-12,14H2,1H3