N,N-diethyl-1-[4-nitro-2-[3-(phenylmethyl)-1,3-oxazinan-2-yl]phenyl]piperidine-3-carboxamide

Systemtic Name: N,N-diethyl-1-[4-nitro-2-[3-(phenylmethyl)-1,3-oxazinan-2-yl]phenyl]piperidine-3-carboxamide Openeye Name: 1-[2-(3-benzyl-1,3-oxazinan-2-yl)-4-nitro-phenyl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: N,N-diethyl-1-[4-nitro-2-[3-(phenylmethyl)-1,3-oxazinan-2-yl]phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-(3-benzyl-1,3-oxazinan-2-yl)-4-nitrophenyl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: 1-[2-(3-benzyl-1,3-oxazinan-2-yl)-4-nitro-phenyl]-N,N-diethyl-nipecotamide Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C3N(CCCO3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C3N(CCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O4/c1-3-28(4-2)26(32)22-12-8-15-29(20-22)25-14-13-23(31(33)34)18-24(25)27-30(16-9-17-35-27)19-21-10-6-5-7-11-21/h5-7,10-11,13-14,18,22,27H,3-4,8-9,12,15-17,19-20H2,1-2H3