N-(5-chloranyl-2,4-dimethoxy-phenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C14H19ClN2O2 MolecularWeight: 282.76586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NCCCCC2)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NCCCCC2)Cl)OC

InChI

InChI=1S/C14H19ClN2O2/c1-18-12-9-13(19-2)11(8-10(12)15)17-14-6-4-3-5-7-16-14/h8-9H,3-7H2,1-2H3,(H,16,17)