1-cyano-1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-[4-[methyl-(phenylmethyl)amino]phenyl]guanidine

Systemtic Name: 1-cyano-1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-[4-[methyl-(phenylmethyl)amino]phenyl]guanidine Openeye Name: 2-[4-[benzyl(methyl)amino]phenyl]-1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)guanidine CAS Name: 1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-2-[4-[methyl-(phenylmethyl)amino]phenyl]guanidine IUPAC Name: 2-[4-[benzyl(methyl)amino]phenyl]-1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)guanidine Traditional Name: 2-[4-[benzyl(methyl)amino]phenyl]-1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)guanidine Formula: C28H28N6O2 MolecularWeight: 480.56092

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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)N(C)CC4=CC=CC=C4)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)N(C)CC4=CC=CC=C4)N)O)C

InChI

InChI=1S/C28H28N6O2/c1-28(2)26(35)25(23-15-20(16-29)9-14-24(23)36-28)34(18-30)27(31)32-21-10-12-22(13-11-21)33(3)17-19-7-5-4-6-8-19/h4-15,25-26,35H,17H2,1-3H3,(H2,31,32)