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

Systemtic Name: (3S)-2,2-dimethyl-3-oxidanyl-4-[2-oxidanylidene-4-(phenylmethyl)piperazin-1-yl]-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S)-4-(4-benzyl-2-oxo-piperazin-1-yl)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3S)-3-hydroxy-2,2-dimethyl-4-[2-oxo-4-(phenylmethyl)-1-piperazinyl]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S)-4-(4-benzyl-2-oxopiperazin-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S)-4-(4-benzyl-2-keto-piperazino)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCN(CC3=O)CC4=CC=CC=C4)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)N3CCN(CC3=O)CC4=CC=CC=C4)O)C

InChI

InChI=1S/C23H25N3O3/c1-23(2)22(28)21(18-12-17(13-24)8-9-19(18)29-23)26-11-10-25(15-20(26)27)14-16-6-4-3-5-7-16/h3-9,12,21-22,28H,10-11,14-15H2,1-2H3/t21?,22-/m0/s1