3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]propanamide

Systemtic Name: 3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]propanamide Openeye Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide CAS Name: N-[(1S)-2-hydroxy-1-phenylethyl]-3-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]propanamide IUPAC Name: N-[(1S)-2-hydroxy-1-phenylethyl]-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide Traditional Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-3-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]propionamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CO)NC(=O)CCNC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CO)NC(=O)CCNC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H22N4O4/c26-13-18(14-6-2-1-3-7-14)23-19(27)10-11-22-20(28)12-17-15-8-4-5-9-16(15)21(29)25-24-17/h1-9,18,26H,10-13H2,(H,22,28)(H,23,27)(H,25,29)/t18-/m1/s1