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

Systemtic Name: 2-azanyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanamide Openeye Name: 2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]-3-(4-hydroxy-2,6-dimethyl-phenyl)propanamide CAS Name: 2-amino-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide IUPAC Name: 2-amino-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide Traditional Name: 2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]-3-(4-hydroxy-2,6-dimethyl-phenyl)propionamide Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)N2CCC3=CC=CC=C3C2)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)N2CCC3=CC=CC=C3C2)N)C)O

InChI

InChI=1S/C23H29N3O3/c1-14-10-19(27)11-15(2)20(14)12-21(24)22(28)25-16(3)23(29)26-9-8-17-6-4-5-7-18(17)13-26/h4-7,10-11,16,21,27H,8-9,12-13,24H2,1-3H3,(H,25,28)