(4S,5S)-3-(4-nitrophenyl)-5-piperidin-1-yl-4-(piperidin-1-ylmethyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: (4S,5S)-3-(4-nitrophenyl)-5-piperidin-1-yl-4-(piperidin-1-ylmethyl)-4,5-dihydro-1,2-oxazole Openeye Name: (4S,5S)-3-(4-nitrophenyl)-5-(1-piperidyl)-4-(1-piperidylmethyl)-4,5-dihydroisoxazole CAS Name: (4S,5S)-3-(4-nitrophenyl)-5-(1-piperidinyl)-4-(1-piperidinylmethyl)-4,5-dihydroisoxazole IUPAC Name: (4S,5S)-3-(4-nitrophenyl)-5-piperidin-1-yl-4-(piperidin-1-ylmethyl)-4,5-dihydro-1,2-oxazole Traditional Name: (4S,5S)-3-(4-nitrophenyl)-5-piperidino-4-(piperidinomethyl)-2-isoxazoline Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2C(ON=C2C3=CC=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

C1CCN(CC1)C[C@@H]2[C@H](ON=C2C3=CC=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C20H28N4O3/c25-24(26)17-9-7-16(8-10-17)19-18(15-22-11-3-1-4-12-22)20(27-21-19)23-13-5-2-6-14-23/h7-10,18,20H,1-6,11-15H2/t18-,20-/m0/s1