(3S)-4-[4-(furan-2-ylcarbonyl)-2-oxidanylidene-piperazin-1-yl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S)-4-[4-(furan-2-ylcarbonyl)-2-oxidanylidene-piperazin-1-yl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S)-4-[4-(furan-2-carbonyl)-2-oxo-piperazin-1-yl]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3S)-4-[4-[2-furanyl(oxo)methyl]-2-oxo-1-piperazinyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S)-4-[4-(furan-2-carbonyl)-2-oxopiperazin-1-yl]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S)-4-[4-(2-furoyl)-2-keto-piperazino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCN(CC3=O)C(=O)C4=CC=CO4)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)N3CCN(CC3=O)C(=O)C4=CC=CO4)O)C

InChI

InChI=1S/C21H21N3O5/c1-21(2)19(26)18(14-10-13(11-22)5-6-15(14)29-21)24-8-7-23(12-17(24)25)20(27)16-4-3-9-28-16/h3-6,9-10,18-19,26H,7-8,12H2,1-2H3/t18?,19-/m0/s1