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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-amine Openeye Name: 1-benzyl-N-[(5-bromo-2-methoxy-phenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-amine IUPAC Name: 1-benzyl-N-[(5-bromo-2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine Traditional Name: (1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-(5-bromo-2-methoxy-benzyl)amine Formula: C22H24BrN3O MolecularWeight: 426.34946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC2CCCC3=C2C=NN3CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC2CCCC3=C2C=NN3CC4=CC=CC=C4

InChI

InChI=1S/C22H24BrN3O/c1-27-22-11-10-18(23)12-17(22)13-24-20-8-5-9-21-19(20)14-25-26(21)15-16-6-3-2-4-7-16/h2-4,6-7,10-12,14,20,24H,5,8-9,13,15H2,1H3