N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-nitro-1-(phenylmethyl)indazol-3-amine

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-nitro-1-(phenylmethyl)indazol-3-amine Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-1-benzyl-5-nitro-indazol-3-amine CAS Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-5-nitro-1-(phenylmethyl)-3-indazolamine IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-1-benzyl-5-nitroindazol-3-amine Traditional Name: (1-benzyl-5-nitro-indazol-3-yl)-(1-piperonyl-4-piperidyl)amine Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NN(C3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCC1NC2=NN(C3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H27N5O4/c33-32(34)22-7-8-24-23(15-22)27(29-31(24)17-19-4-2-1-3-5-19)28-21-10-12-30(13-11-21)16-20-6-9-25-26(14-20)36-18-35-25/h1-9,14-15,21H,10-13,16-18H2,(H,28,29)