2-(3,5-dimethyl-1-adamantyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-1-[2-[(E)-styryl]phenyl]guanidine CAS Name: 2-(3,5-dimethyl-1-adamantyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-1-[2-[(E)-styryl]phenyl]guanidine Formula: C27H33N3 MolecularWeight: 399.57102

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)N=C(N)NC4=CC=CC=C4C=CC5=CC=CC=C5)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)N=C(N)NC4=CC=CC=C4/C=C/C5=CC=CC=C5)C

InChI

InChI=1S/C27H33N3/c1-25-14-21-15-26(2,17-25)19-27(16-21,18-25)30-24(28)29-23-11-7-6-10-22(23)13-12-20-8-4-3-5-9-20/h3-13,21H,14-19H2,1-2H3,(H3,28,29,30)/b13-12+