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

Systemtic Name: (2S)-2-acetamido-3-(4-methoxyphenyl)-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]propanamide Openeye Name: (2S)-2-acetamido-3-(4-methoxyphenyl)-N-[1-(3-nitro-2-pyridyl)-4-piperidyl]propanamide CAS Name: (2S)-2-acetamido-3-(4-methoxyphenyl)-N-[1-(3-nitro-2-pyridinyl)-4-piperidinyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(4-methoxyphenyl)-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]propanamide Traditional Name: (2S)-2-acetamido-3-(4-methoxyphenyl)-N-[1-(3-nitro-2-pyridyl)-4-piperidyl]propionamide Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O5/c1-15(28)24-19(14-16-5-7-18(32-2)8-6-16)22(29)25-17-9-12-26(13-10-17)21-20(27(30)31)4-3-11-23-21/h3-8,11,17,19H,9-10,12-14H2,1-2H3,(H,24,28)(H,25,29)/t19-/m0/s1