N-cyano-N'-[(3S,4R)-6-cyano-2-methyl-3-oxidanyl-2-(phenoxymethyl)-3,4-dihydrochromen-4-yl]pyridine-3-carboximidamide

Systemtic Name: N-cyano-N'-[(3S,4R)-6-cyano-2-methyl-3-oxidanyl-2-(phenoxymethyl)-3,4-dihydrochromen-4-yl]pyridine-3-carboximidamide Openeye Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2-methyl-2-(phenoxymethyl)chroman-4-yl]pyridine-3-carboxamidine CAS Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2-methyl-2-(phenoxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-pyridinecarboximidamide IUPAC Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2-methyl-2-(phenoxymethyl)-3,4-dihydrochromen-4-yl]pyridine-3-carboximidamide Traditional Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2-methyl-2-(phenoxymethyl)chroman-4-yl]nicotinamidine Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N=C(C3=CN=CC=C3)NC#N)O)COC4=CC=CC=C4

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N=C(C3=CN=CC=C3)NC#N)O)COC4=CC=CC=C4

InChI

InChI=1S/C25H21N5O3/c1-25(15-32-19-7-3-2-4-8-19)23(31)22(20-12-17(13-26)9-10-21(20)33-25)30-24(29-16-27)18-6-5-11-28-14-18/h2-12,14,22-23,31H,15H2,1H3,(H,29,30)/t22-,23+,25?/m1/s1