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

Systemtic Name: (2S,10bR)-2-butoxy-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-3,3-dicarbonitrile Openeye Name: (2S,10bR)-2-butoxy-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-3,3-dicarbonitrile CAS Name: (2S,10bR)-2-butoxy-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-3,3-dicarbonitrile IUPAC Name: (2S,10bR)-2-butoxy-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-3,3-dicarbonitrile Traditional Name: (2S,10bR)-2-butoxy-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-3,3-dicarbonitrile Formula: C17H18N4O MolecularWeight: 294.35102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CC2C3=CC=CC=C3C=NN2C1(C#N)C#N

Isomeric SMILES

CCCCO[C@H]1C[C@@H]2C3=CC=CC=C3C=NN2C1(C#N)C#N

InChI

InChI=1S/C17H18N4O/c1-2-3-8-22-16-9-15-14-7-5-4-6-13(14)10-20-21(15)17(16,11-18)12-19/h4-7,10,15-16H,2-3,8-9H2,1H3/t15-,16+/m1/s1