1-(4-chlorophenyl)-3-cyano-2-(7-isocyano-3,3-dimethyl-2-oxidanyl-2,4-dihydro-1H-naphthalen-1-yl)guanidine

Systemtic Name: 1-(4-chlorophenyl)-3-cyano-2-(7-isocyano-3,3-dimethyl-2-oxidanyl-2,4-dihydro-1H-naphthalen-1-yl)guanidine Openeye Name: 1-(4-chlorophenyl)-3-cyano-2-(2-hydroxy-7-isocyano-3,3-dimethyl-tetralin-1-yl)guanidine CAS Name: 1-(4-chlorophenyl)-3-cyano-2-(2-hydroxy-7-isocyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)guanidine IUPAC Name: 1-(4-chlorophenyl)-3-cyano-2-(2-hydroxy-7-isocyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)guanidine Traditional Name: 1-(4-chlorophenyl)-3-cyano-2-(2-hydroxy-7-isocyano-3,3-dimethyl-tetralin-1-yl)guanidine Formula: C21H20ClN5O MolecularWeight: 393.8694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C=C2)[N+]#[C-])C(C1O)N=C(NC#N)NC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(CC2=C(C=C(C=C2)[N+]#[C-])C(C1O)N=C(NC#N)NC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H20ClN5O/c1-21(2)11-13-4-7-16(24-3)10-17(13)18(19(21)28)27-20(25-12-23)26-15-8-5-14(22)6-9-15/h4-10,18-19,28H,11H2,1-2H3,(H2,25,26,27)