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

Systemtic Name: ethyl (3R)-3-[2-(1-oxidanylidene-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]butanoate Openeye Name: ethyl (3R)-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]butanoate CAS Name: (3R)-3-[[1-oxo-2-[1-oxo-7-(1-piperazinyl)-3,4-dihydroisoquinolin-2-yl]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]butanoate Traditional Name: (3R)-3-[[2-(1-keto-7-piperazino-3,4-dihydroisoquinolin-2-yl)acetyl]amino]butyric acid ethyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=O)CN1CCC2=C(C1=O)C=C(C=C2)N3CCNCC3

Isomeric SMILES

CCOC(=O)C[C@@H](C)NC(=O)CN1CCC2=C(C1=O)C=C(C=C2)N3CCNCC3

InChI

InChI=1S/C21H30N4O4/c1-3-29-20(27)12-15(2)23-19(26)14-25-9-6-16-4-5-17(13-18(16)21(25)28)24-10-7-22-8-11-24/h4-5,13,15,22H,3,6-12,14H2,1-2H3,(H,23,26)/t15-/m1/s1