(1S,10bR)-1-propanoyl-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-3,3-dicarbonitrile

Systemtic Name: (1S,10bR)-1-propanoyl-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-3,3-dicarbonitrile Openeye Name: (1S,10bR)-1-propanoyl-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-3,3-dicarbonitrile CAS Name: (1S,10bR)-1-(1-oxopropyl)-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-3,3-dicarbonitrile IUPAC Name: (1S,10bR)-1-propanoyl-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-3,3-dicarbonitrile Traditional Name: (1S,10bR)-1-propionyl-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-3,3-dicarbonitrile Formula: C16H14N4O MolecularWeight: 278.30856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CC(N2C1C3=CC=CC=C3C=N2)(C#N)C#N

Isomeric SMILES

CCC(=O)[C@H]1CC(N2[C@H]1C3=CC=CC=C3C=N2)(C#N)C#N

InChI

InChI=1S/C16H14N4O/c1-2-14(21)13-7-16(9-17,10-18)20-15(13)12-6-4-3-5-11(12)8-19-20/h3-6,8,13,15H,2,7H2,1H3/t13-,15+/m1/s1