2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[1-oxidanylidene-1-(3-pyridin-3-ylpropylamino)propan-2-yl]propanamide

Systemtic Name: 2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[1-oxidanylidene-1-(3-pyridin-3-ylpropylamino)propan-2-yl]propanamide Openeye Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-methyl-2-oxo-2-[3-(3-pyridyl)propylamino]ethyl]propanamide CAS Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[1-oxo-1-[3-(3-pyridinyl)propylamino]propan-2-yl]propanamide IUPAC Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[1-oxo-1-(3-pyridin-3-ylpropylamino)propan-2-yl]propanamide Traditional Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[2-keto-1-methyl-2-[3-(3-pyridyl)propylamino]ethyl]propionamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)NCCCC2=CN=CC=C2)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)NCCCC2=CN=CC=C2)N)C)O

InChI

InChI=1S/C22H30N4O3/c1-14-10-18(27)11-15(2)19(14)12-20(23)22(29)26-16(3)21(28)25-9-5-7-17-6-4-8-24-13-17/h4,6,8,10-11,13,16,20,27H,5,7,9,12,23H2,1-3H3,(H,25,28)(H,26,29)