4-oxidanylidene-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-3-phenyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]-3-phenyl-phthalazine-1-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-3-13-22-19(26)14(2)23-20(27)18-16-11-7-8-12-17(16)21(28)25(24-18)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,22,26)(H,23,27)/t14-/m0/s1