3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-1-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-1-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-4-hydroxy-1-piperidyl)-3-(4-imidazol-1-yl-2-nitro-anilino)propan-1-one CAS Name: 1-[4-hydroxy-4-(phenylmethyl)-1-piperidinyl]-3-[4-(1-imidazolyl)-2-nitroanilino]-1-propanone IUPAC Name: 1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-(4-imidazol-1-yl-2-nitroanilino)propan-1-one Traditional Name: 1-(4-benzyl-4-hydroxy-piperidino)-3-(4-imidazol-1-yl-2-nitro-anilino)propan-1-one Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)O)C(=O)CCNC3=C(C=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)O)C(=O)CCNC3=C(C=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O4/c30-23(27-13-9-24(31,10-14-27)17-19-4-2-1-3-5-19)8-11-26-21-7-6-20(16-22(21)29(32)33)28-15-12-25-18-28/h1-7,12,15-16,18,26,31H,8-11,13-14,17H2