1-cyano-2-heptyl-3-[2-[2-[4-(2-methylpropyl)phenyl]ethyl]phenyl]guanidine

Systemtic Name: 1-cyano-2-heptyl-3-[2-[2-[4-(2-methylpropyl)phenyl]ethyl]phenyl]guanidine Openeye Name: 1-cyano-2-heptyl-3-[2-[2-(4-isobutylphenyl)ethyl]phenyl]guanidine CAS Name: 1-cyano-2-heptyl-3-[2-[2-[4-(2-methylpropyl)phenyl]ethyl]phenyl]guanidine IUPAC Name: 1-cyano-2-heptyl-3-[2-[2-[4-(2-methylpropyl)phenyl]ethyl]phenyl]guanidine Traditional Name: 1-cyano-2-heptyl-3-[2-[2-(4-isobutylphenyl)ethyl]phenyl]guanidine Formula: C27H38N4 MolecularWeight: 418.61742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN=C(NC#N)NC1=CC=CC=C1CCC2=CC=C(C=C2)CC(C)C

Isomeric SMILES

CCCCCCCN=C(NC#N)NC1=CC=CC=C1CCC2=CC=C(C=C2)CC(C)C

InChI

InChI=1S/C27H38N4/c1-4-5-6-7-10-19-29-27(30-21-28)31-26-12-9-8-11-25(26)18-17-23-13-15-24(16-14-23)20-22(2)3/h8-9,11-16,22H,4-7,10,17-20H2,1-3H3,(H2,29,30,31)