(2S)-2-[2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-(1,3-diketo-4H-isoquinolin-2-yl)acetyl]amino]-N-propyl-propionamide Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CN1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C17H21N3O4/c1-3-8-18-16(23)11(2)19-14(21)10-20-15(22)9-12-6-4-5-7-13(12)17(20)24/h4-7,11H,3,8-10H2,1-2H3,(H,18,23)(H,19,21)/t11-/m0/s1