N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-[(2S)-2-methyl-1-piperidyl]propyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidinyl]propyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-[(2S)-2-methylpiperidino]propyl]-5-nitro-2-pyrrolidino-benzamide Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

C[C@H]1CCCCN1CCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C20H30N4O3/c1-16-7-2-3-11-22(16)14-6-10-21-20(25)18-15-17(24(26)27)8-9-19(18)23-12-4-5-13-23/h8-9,15-16H,2-7,10-14H2,1H3,(H,21,25)/t16-/m0/s1