N-(3-chloranyl-4-ethyl-phenyl)-2,4-diazabicyclo[3.2.1]oct-3-en-3-amine

Systemtic Name: N-(3-chloranyl-4-ethyl-phenyl)-2,4-diazabicyclo[3.2.1]oct-3-en-3-amine Openeye Name: N-(3-chloro-4-ethyl-phenyl)-2,4-diazabicyclo[3.2.1]oct-3-en-3-amine CAS Name: N-(3-chloro-4-ethylphenyl)-2,4-diazabicyclo[3.2.1]oct-3-en-3-amine IUPAC Name: N-(3-chloro-4-ethylphenyl)-2,4-diazabicyclo[3.2.1]oct-3-en-3-amine Traditional Name: (3-chloro-4-ethyl-phenyl)-(2,4-diazabicyclo[3.2.1]oct-3-en-3-yl)amine Formula: C14H18ClN3 MolecularWeight: 263.76582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC2=NC3CCC(C3)N2)Cl

Isomeric SMILES

CCC1=C(C=C(C=C1)NC2=NC3CCC(C3)N2)Cl

InChI

InChI=1S/C14H18ClN3/c1-2-9-3-4-12(8-13(9)15)18-14-16-10-5-6-11(7-10)17-14/h3-4,8,10-11H,2,5-7H2,1H3,(H2,16,17,18)