N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-(2-nitrophenyl)isonipecotamide Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C4=CNC5=CC=CC=C54

InChI

InChI=1S/C29H30N4O4/c1-37-22-12-10-20(11-13-22)24(25-19-30-26-7-3-2-6-23(25)26)18-31-29(34)21-14-16-32(17-15-21)27-8-4-5-9-28(27)33(35)36/h2-13,19,21,24,30H,14-18H2,1H3,(H,31,34)