N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-amine

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-amine Openeye Name: 1-benzyl-N-[(5-bromo-2-fluoro-phenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-amine IUPAC Name: 1-benzyl-N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine Traditional Name: (1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-(5-bromo-2-fluoro-benzyl)amine Formula: C21H21BrFN3 MolecularWeight: 414.313943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NCC4=C(C=CC(=C4)Br)F

Isomeric SMILES

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NCC4=C(C=CC(=C4)Br)F

InChI

InChI=1S/C21H21BrFN3/c22-17-9-10-19(23)16(11-17)12-24-20-7-4-8-21-18(20)13-25-26(21)14-15-5-2-1-3-6-15/h1-3,5-6,9-11,13,20,24H,4,7-8,12,14H2