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

Systemtic Name: [2-[3-(azepan-1-ylmethyl)-5-methyl-1,2,4-triazol-4-yl]-5-bromanyl-phenyl]-pyridin-2-yl-methanone Openeye Name: [2-[3-(azepan-1-ylmethyl)-5-methyl-1,2,4-triazol-4-yl]-5-bromo-phenyl]-(2-pyridyl)methanone CAS Name: [2-[3-(1-azepanylmethyl)-5-methyl-1,2,4-triazol-4-yl]-5-bromophenyl]-(2-pyridinyl)methanone IUPAC Name: [2-[3-(azepan-1-ylmethyl)-5-methyl-1,2,4-triazol-4-yl]-5-bromophenyl]-pyridin-2-ylmethanone Traditional Name: [2-[3-(azepan-1-ylmethyl)-5-methyl-1,2,4-triazol-4-yl]-5-bromo-phenyl]-(2-pyridyl)methanone Formula: C22H24BrN5O MolecularWeight: 454.36286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=N3)CN4CCCCCC4

Isomeric SMILES

CC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=N3)CN4CCCCCC4

InChI

InChI=1S/C22H24BrN5O/c1-16-25-26-21(15-27-12-6-2-3-7-13-27)28(16)20-10-9-17(23)14-18(20)22(29)19-8-4-5-11-24-19/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3