N-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]-1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-amine

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]-1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-amine Openeye Name: N-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methyl]-1-benzyl-4,5,6,7-tetrahydroindazol-4-amine CAS Name: N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-amine IUPAC Name: 1-benzyl-N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amine Formula: C25H28BrN3O2 MolecularWeight: 482.41272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrN3O2/c1-3-12-31-25-21(26)13-19(14-24(25)30-2)15-27-22-10-7-11-23-20(22)16-28-29(23)17-18-8-5-4-6-9-18/h3-6,8-9,13-14,16,22,27H,1,7,10-12,15,17H2,2H3