1-cyano-1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenyl)guanidine

Systemtic Name: 1-cyano-1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenyl)guanidine Openeye Name: 1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-(4-methoxyphenyl)guanidine CAS Name: 1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-2-(4-methoxyphenyl)guanidine IUPAC Name: 1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenyl)guanidine Traditional Name: 1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-(4-methoxyphenyl)guanidine Formula: C21H21N5O3 MolecularWeight: 391.42314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(C#N)C(=NC3=CC=C(C=C3)OC)N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(C#N)C(=NC3=CC=C(C=C3)OC)N)O)C

InChI

InChI=1S/C21H21N5O3/c1-21(2)19(27)18(16-10-13(11-22)4-9-17(16)29-21)26(12-23)20(24)25-14-5-7-15(28-3)8-6-14/h4-10,18-19,27H,1-3H3,(H2,24,25)