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

Systemtic Name: (3S)-2,2-dimethyl-4-(4-methyl-2-oxidanylidene-piperazin-1-yl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S)-3-hydroxy-2,2-dimethyl-4-(4-methyl-2-oxo-piperazin-1-yl)chromane-6-carbonitrile CAS Name: (3S)-3-hydroxy-2,2-dimethyl-4-(4-methyl-2-oxo-1-piperazinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S)-3-hydroxy-2,2-dimethyl-4-(4-methyl-2-oxopiperazin-1-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S)-3-hydroxy-4-(2-keto-4-methyl-piperazino)-2,2-dimethyl-chroman-6-carbonitrile Formula: C17H21N3O3 MolecularWeight: 315.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCN(CC3=O)C)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)N3CCN(CC3=O)C)O)C

InChI

InChI=1S/C17H21N3O3/c1-17(2)16(22)15(20-7-6-19(3)10-14(20)21)12-8-11(9-18)4-5-13(12)23-17/h4-5,8,15-16,22H,6-7,10H2,1-3H3/t15?,16-/m0/s1