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

Systemtic Name: [5-bromanyl-2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-methyl-1,2,4-triazol-4-yl]phenyl]-pyridin-2-yl-methanone Openeye Name: [5-bromo-2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-methyl-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone CAS Name: [5-bromo-2-[3-[(4-ethyl-1-piperazinyl)methyl]-5-methyl-1,2,4-triazol-4-yl]phenyl]-(2-pyridinyl)methanone IUPAC Name: [5-bromo-2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-methyl-1,2,4-triazol-4-yl]phenyl]-pyridin-2-ylmethanone Traditional Name: [5-bromo-2-[3-[(4-ethylpiperazino)methyl]-5-methyl-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone Formula: C22H25BrN6O MolecularWeight: 469.3775

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NN=C(N2C3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=N4)C

Isomeric SMILES

CCN1CCN(CC1)CC2=NN=C(N2C3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=N4)C

InChI

InChI=1S/C22H25BrN6O/c1-3-27-10-12-28(13-11-27)15-21-26-25-16(2)29(21)20-8-7-17(23)14-18(20)22(30)19-6-4-5-9-24-19/h4-9,14H,3,10-13,15H2,1-2H3