4-nitro-N-(phenylmethyl)-7-[4-(phenylmethyl)piperidin-1-yl]-2,1,3-benzoxadiazol-5-amine

Systemtic Name: 4-nitro-N-(phenylmethyl)-7-[4-(phenylmethyl)piperidin-1-yl]-2,1,3-benzoxadiazol-5-amine Openeye Name: N-benzyl-7-(4-benzyl-1-piperidyl)-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: 4-nitro-N-(phenylmethyl)-7-[4-(phenylmethyl)-1-piperidinyl]-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-benzyl-7-(4-benzylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine Traditional Name: benzyl-[7-(4-benzylpiperidino)-4-nitro-benzofurazan-5-yl]amine Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3/c31-30(32)25-21(26-17-20-9-5-2-6-10-20)16-22(23-24(25)28-33-27-23)29-13-11-19(12-14-29)15-18-7-3-1-4-8-18/h1-10,16,19,26H,11-15,17H2