N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-nitrophenyl)isonipecotamide Formula: C25H34N4O4 MolecularWeight: 454.56186

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-])C3=CC(=CC=C3)OC

Isomeric SMILES

CCN(CC)[C@H](CNC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-])C3=CC(=CC=C3)OC

InChI

InChI=1S/C25H34N4O4/c1-4-27(5-2)24(20-9-8-10-21(17-20)33-3)18-26-25(30)19-13-15-28(16-14-19)22-11-6-7-12-23(22)29(31)32/h6-12,17,19,24H,4-5,13-16,18H2,1-3H3,(H,26,30)/t24-/m1/s1