(3S)-4-(4-butyl-2-oxidanylidene-piperazin-1-yl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S)-4-(4-butyl-2-oxidanylidene-piperazin-1-yl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S)-4-(4-butyl-2-oxo-piperazin-1-yl)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3S)-4-(4-butyl-2-oxo-1-piperazinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S)-4-(4-butyl-2-oxopiperazin-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S)-4-(4-butyl-2-keto-piperazino)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C20H27N3O3 MolecularWeight: 357.44668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(C(=O)C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

Isomeric SMILES

CCCCN1CCN(C(=O)C1)C2[C@@H](C(OC3=C2C=C(C=C3)C#N)(C)C)O

InChI

InChI=1S/C20H27N3O3/c1-4-5-8-22-9-10-23(17(24)13-22)18-15-11-14(12-21)6-7-16(15)26-20(2,3)19(18)25/h6-7,11,18-19,25H,4-5,8-10,13H2,1-3H3/t18?,19-/m0/s1