2-azanyl-4-[(2R,3S,4S)-4-(2-ethylphenyl)-3-nitro-1-(pyridin-3-ylmethyl)piperidin-2-yl]phenol

Systemtic Name: 2-azanyl-4-[(2R,3S,4S)-4-(2-ethylphenyl)-3-nitro-1-(pyridin-3-ylmethyl)piperidin-2-yl]phenol Openeye Name: 2-amino-4-[(2R,3S,4S)-4-(2-ethylphenyl)-3-nitro-1-(3-pyridylmethyl)-2-piperidyl]phenol CAS Name: 2-amino-4-[(2R,3S,4S)-4-(2-ethylphenyl)-3-nitro-1-(3-pyridinylmethyl)-2-piperidinyl]phenol IUPAC Name: 2-amino-4-[(2R,3S,4S)-4-(2-ethylphenyl)-3-nitro-1-(pyridin-3-ylmethyl)piperidin-2-yl]phenol Traditional Name: 2-amino-4-[(2R,3S,4S)-4-(2-ethylphenyl)-3-nitro-1-(3-pyridylmethyl)-2-piperidyl]phenol Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2CCN(C(C2[N+](=O)[O-])C3=CC(=C(C=C3)O)N)CC4=CN=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1[C@@H]2CCN([C@@H]([C@H]2[N+](=O)[O-])C3=CC(=C(C=C3)O)N)CC4=CN=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-2-18-7-3-4-8-20(18)21-11-13-28(16-17-6-5-12-27-15-17)24(25(21)29(31)32)19-9-10-23(30)22(26)14-19/h3-10,12,14-15,21,24-25,30H,2,11,13,16,26H2,1H3/t21-,24+,25-/m0/s1