2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepiperazin-1-yl)chromene-6-carbonitrile

Systemtic Name: 2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepiperazin-1-yl)chromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-dimethyl-4-(2-oxopiperazin-1-yl)chromene-6-carbonitrile CAS Name: 3-hydroxy-2,2-dimethyl-4-(2-oxo-1-piperazinyl)-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-dimethyl-4-(2-oxopiperazin-1-yl)chromene-6-carbonitrile Traditional Name: 3-hydroxy-4-(2-ketopiperazino)-2,2-dimethyl-chromene-6-carbonitrile Formula: C16H17N3O3 MolecularWeight: 299.32448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)C#N)N3CCNCC3=O)O)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)C#N)N3CCNCC3=O)O)C

InChI

InChI=1S/C16H17N3O3/c1-16(2)15(21)14(19-6-5-18-9-13(19)20)11-7-10(8-17)3-4-12(11)22-16/h3-4,7,18,21H,5-6,9H2,1-2H3