(3R,4S)-5-azanylidene-4-butanoyl-3-phenyl-2-piperidin-1-yl-cyclopentene-1,3-dicarbonitrile

Systemtic Name: (3R,4S)-5-azanylidene-4-butanoyl-3-phenyl-2-piperidin-1-yl-cyclopentene-1,3-dicarbonitrile Openeye Name: (3R,4S)-4-butanoyl-5-imino-3-phenyl-2-(1-piperidyl)cyclopentene-1,3-dicarbonitrile CAS Name: (3R,4S)-5-imino-4-(1-oxobutyl)-3-phenyl-2-(1-piperidinyl)cyclopentene-1,3-dicarbonitrile IUPAC Name: (3R,4S)-4-butanoyl-5-imino-3-phenyl-2-piperidin-1-ylcyclopentene-1,3-dicarbonitrile Traditional Name: (3R,4S)-4-butyryl-5-imino-3-phenyl-2-piperidino-cyclopentene-1,3-dicarbonitrile Formula: C22H24N4O MolecularWeight: 360.45216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=N)C(=C(C1(C#N)C2=CC=CC=C2)N3CCCCC3)C#N

Isomeric SMILES

CCCC(=O)[C@@H]1C(=N)C(=C([C@]1(C#N)C2=CC=CC=C2)N3CCCCC3)C#N

InChI

InChI=1S/C22H24N4O/c1-2-9-18(27)19-20(25)17(14-23)21(26-12-7-4-8-13-26)22(19,15-24)16-10-5-3-6-11-16/h3,5-6,10-11,19,25H,2,4,7-9,12-13H2,1H3/t19-,22-/m1/s1