(2S)-2-acetamido-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-acetamido-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-2-acetamido-3-(4-isopropylphenyl)-N-[1-(3-nitro-2-pyridyl)-4-piperidyl]propanamide CAS Name: (2S)-2-acetamido-N-[1-(3-nitro-2-pyridinyl)-4-piperidinyl]-3-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-acetamido-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-acetamido-N-[1-(3-nitro-2-pyridyl)-4-piperidyl]-3-p-cumenyl-propionamide Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O4/c1-16(2)19-8-6-18(7-9-19)15-21(26-17(3)30)24(31)27-20-10-13-28(14-11-20)23-22(29(32)33)5-4-12-25-23/h4-9,12,16,20-21H,10-11,13-15H2,1-3H3,(H,26,30)(H,27,31)/t21-/m0/s1