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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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