N-[(5-bromanyl-2-methoxy-phenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxidanylidene-pentanamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxidanylidene-pentanamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxo-pentanamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-5-(3-methyl-1-indazolyl)-5-oxopentanamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-5-keto-5-(3-methylindazol-1-yl)valeramide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=CC=CC=C12)C(=O)CCCC(=O)NCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=NN(C2=CC=CC=C12)C(=O)CCCC(=O)NCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H22BrN3O3/c1-14-17-6-3-4-7-18(17)25(24-14)21(27)9-5-8-20(26)23-13-15-12-16(22)10-11-19(15)28-2/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3,(H,23,26)