(2S)-2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]propanamide

Systemtic Name: (2S)-2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]propanamide Openeye Name: (2S)-2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(3-nitro-2-pyridyl)-4-piperidyl]propanamide CAS Name: (2S)-2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(3-nitro-2-pyridinyl)-4-piperidinyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]propanamide Traditional Name: (2S)-2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(3-nitro-2-pyridyl)-4-piperidyl]propionamide Formula: C23H29N5O6 MolecularWeight: 471.50626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=CC(=C1)OC)OC)C(=O)NC2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC(=CC(=C1)OC)OC)C(=O)NC2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O6/c1-15(29)25-20(13-16-11-18(33-2)14-19(12-16)34-3)23(30)26-17-6-9-27(10-7-17)22-21(28(31)32)5-4-8-24-22/h4-5,8,11-12,14,17,20H,6-7,9-10,13H2,1-3H3,(H,25,29)(H,26,30)/t20-/m0/s1