4-nitro-N-phenethyl-N-(phenylmethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine

Systemtic Name: 4-nitro-N-phenethyl-N-(phenylmethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-benzyl-4-nitro-N-phenethyl-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine CAS Name: 4-nitro-N-phenethyl-N-(phenylmethyl)-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-benzyl-4-nitro-N-phenethyl-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: benzyl-(7-nitro-6-pyrrolidino-benzofurazan-4-yl)-phenethyl-amine Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C3=NON=C3C(=C2)N(CCC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C3=NON=C3C(=C2)N(CCC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

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