1-(4-chlorophenyl)-3-cyano-2-[(3S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-5-yl]guanidine

Systemtic Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-5-yl]guanidine Openeye Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-5-yl]guanidine CAS Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-5-yl]guanidine IUPAC Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-5-yl]guanidine Traditional Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-5-yl]guanidine Formula: C20H18ClN5O2 MolecularWeight: 395.84222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=C(O1)C=CC(=C2N=C(NC#N)NC3=CC=C(C=C3)Cl)C#N)O)C

Isomeric SMILES

CC1([C@H](CC2=C(O1)C=CC(=C2N=C(NC#N)NC3=CC=C(C=C3)Cl)C#N)O)C

InChI

InChI=1S/C20H18ClN5O2/c1-20(2)17(27)9-15-16(28-20)8-3-12(10-22)18(15)26-19(24-11-23)25-14-6-4-13(21)5-7-14/h3-8,17,27H,9H2,1-2H3,(H2,24,25,26)/t17-/m0/s1