ethyl 3-[2-(1-oxidanylidene-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]propanoate

Systemtic Name: ethyl 3-[2-(1-oxidanylidene-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]propanoate Openeye Name: ethyl 3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]propanoate CAS Name: 3-[[1-oxo-2-[1-oxo-7-(1-piperazinyl)-3,4-dihydroisoquinolin-2-yl]ethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]propanoate Traditional Name: 3-[[2-(1-keto-7-piperazino-3,4-dihydroisoquinolin-2-yl)acetyl]amino]propionic acid ethyl ester Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)CN1CCC2=C(C1=O)C=C(C=C2)N3CCNCC3

Isomeric SMILES

CCOC(=O)CCNC(=O)CN1CCC2=C(C1=O)C=C(C=C2)N3CCNCC3

InChI

InChI=1S/C20H28N4O4/c1-2-28-19(26)5-7-22-18(25)14-24-10-6-15-3-4-16(13-17(15)20(24)27)23-11-8-21-9-12-23/h3-4,13,21H,2,5-12,14H2,1H3,(H,22,25)