N-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl]-1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-amine

Systemtic Name: N-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl]-1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-amine Openeye Name: 1-benzyl-N-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine CAS Name: N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-amine IUPAC Name: 1-benzyl-N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine Traditional Name: (1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-(3-bromo-4-ethoxy-5-methoxy-benzyl)amine Formula: C24H28BrN3O2 MolecularWeight: 470.40202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)CNC2CCCC3=C2C=NN3CC4=CC=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)CNC2CCCC3=C2C=NN3CC4=CC=CC=C4)OC

InChI

InChI=1S/C24H28BrN3O2/c1-3-30-24-20(25)12-18(13-23(24)29-2)14-26-21-10-7-11-22-19(21)15-27-28(22)16-17-8-5-4-6-9-17/h4-6,8-9,12-13,15,21,26H,3,7,10-11,14,16H2,1-2H3