3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-(4-methoxyphenyl)amino]propanamide

Systemtic Name: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-(4-methoxyphenyl)amino]propanamide Openeye Name: 3-(N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-methoxy-anilino)propanamide CAS Name: 3-(N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxyanilino)propanamide IUPAC Name: 3-(N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxyanilino)propanamide Traditional Name: 3-(N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-methoxy-anilino)propionamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)N)CC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)N)CC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H25N3O3/c1-27-19-8-6-18(7-9-19)23(13-11-20(22)25)15-21(26)24-12-10-16-4-2-3-5-17(16)14-24/h2-9H,10-15H2,1H3,(H2,22,25)