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

Systemtic Name: 5-(4-methylpiperidin-1-yl)-4-nitro-N-phenethyl-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: N-benzyl-5-(4-methyl-1-piperidyl)-4-nitro-N-phenethyl-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(4-methyl-1-piperidinyl)-4-nitro-N-phenethyl-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-benzyl-5-(4-methylpiperidin-1-yl)-4-nitro-N-phenethyl-2,1,3-benzoxadiazol-7-amine Traditional Name: benzyl-[6-(4-methylpiperidino)-7-nitro-benzofurazan-4-yl]-phenethyl-amine Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C3=NON=C3C(=C2)N(CCC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C3=NON=C3C(=C2)N(CCC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H29N5O3/c1-20-12-15-30(16-13-20)24-18-23(25-26(29-35-28-25)27(24)32(33)34)31(19-22-10-6-3-7-11-22)17-14-21-8-4-2-5-9-21/h2-11,18,20H,12-17,19H2,1H3