4-nitro-N-phenyl-N-(1-pyridin-3-ylethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine

Systemtic Name: 4-nitro-N-phenyl-N-(1-pyridin-3-ylethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: 4-nitro-N-phenyl-N-[1-(3-pyridyl)ethyl]-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine CAS Name: 4-nitro-N-phenyl-N-[1-(3-pyridinyl)ethyl]-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: 4-nitro-N-phenyl-N-(1-pyridin-3-ylethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: (7-nitro-6-pyrrolidino-benzofurazan-4-yl)-phenyl-[1-(3-pyridyl)ethyl]amine Formula: C23H22N6O3 MolecularWeight: 430.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)N(C2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCC5

Isomeric SMILES

CC(C1=CN=CC=C1)N(C2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCC5

InChI

InChI=1S/C23H22N6O3/c1-16(17-8-7-11-24-15-17)28(18-9-3-2-4-10-18)19-14-20(27-12-5-6-13-27)23(29(30)31)22-21(19)25-32-26-22/h2-4,7-11,14-16H,5-6,12-13H2,1H3