N-cyano-N'-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-4-(phenylmethyl)piperazine-1-carboximidamide

Systemtic Name: N-cyano-N'-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-4-(phenylmethyl)piperazine-1-carboximidamide Openeye Name: 4-benzyl-N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]piperazine-1-carboxamidine CAS Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-4-(phenylmethyl)-1-piperazinecarboximidamide IUPAC Name: 4-benzyl-N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperazine-1-carboximidamide Traditional Name: 4-benzyl-N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]piperazine-1-carboxamidine Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O2/c1-25(2)23(32)22(20-14-19(15-26)8-9-21(20)33-25)29-24(28-17-27)31-12-10-30(11-13-31)16-18-6-4-3-5-7-18/h3-9,14,22-23,32H,10-13,16H2,1-2H3,(H,28,29)/t22-,23+/m1/s1