N-[3-(diethylcarbamoyl)phenyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-[3-(diethylcarbamoyl)phenyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-[3-(diethylcarbamoyl)phenyl]-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-[3-[diethylamino(oxo)methyl]phenyl]-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-[3-(diethylcarbamoyl)phenyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-[3-(diethylcarbamoyl)phenyl]-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCC[C@@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O4/c1-4-26(5-2)24(30)19-9-6-10-20(14-19)25-23(29)18-11-12-21(22(15-18)28(31)32)27-13-7-8-17(3)16-27/h6,9-12,14-15,17H,4-5,7-8,13,16H2,1-3H3,(H,25,29)/t17-/m0/s1