N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-1-(2-nitrophenyl)isonipecotamide Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C25H33N5O3/c1-3-27-14-16-28(17-15-27)21-8-9-22(19(2)18-21)26-25(31)20-10-12-29(13-11-20)23-6-4-5-7-24(23)30(32)33/h4-9,18,20H,3,10-17H2,1-2H3,(H,26,31)