(2S)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-N-(2-nitrophenyl)propanamide

Systemtic Name: (2S)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-N-(2-nitrophenyl)propanamide Openeye Name: (2S)-2-[methyl-[[2-(1-piperidyl)phenyl]methyl]amino]-N-(2-nitrophenyl)propanamide CAS Name: (2S)-2-[methyl-[[2-(1-piperidinyl)phenyl]methyl]amino]-N-(2-nitrophenyl)propanamide IUPAC Name: (2S)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-N-(2-nitrophenyl)propanamide Traditional Name: (2S)-2-[methyl-(2-piperidinobenzyl)amino]-N-(2-nitrophenyl)propionamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N(C)CC2=CC=CC=C2N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])N(C)CC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C22H28N4O3/c1-17(22(27)23-19-11-5-7-13-21(19)26(28)29)24(2)16-18-10-4-6-12-20(18)25-14-8-3-9-15-25/h4-7,10-13,17H,3,8-9,14-16H2,1-2H3,(H,23,27)/t17-/m0/s1