3-hexyl-7-methyl-6-(4-phenylmethoxyphenyl)-2-propyl-1,2-diazabicyclo[2.2.1]hepta-4(7),5-diene

Systemtic Name: 3-hexyl-7-methyl-6-(4-phenylmethoxyphenyl)-2-propyl-1,2-diazabicyclo[2.2.1]hepta-4(7),5-diene Openeye Name: 6-(4-benzyloxyphenyl)-3-hexyl-7-methyl-2-propyl-1,2-diazabicyclo[2.2.1]hepta-4(7),5-diene CAS Name: 3-hexyl-7-methyl-6-(4-phenylmethoxyphenyl)-2-propyl-1,2-diazabicyclo[2.2.1]hepta-4(7),5-diene IUPAC Name: 3-hexyl-7-methyl-6-(4-phenylmethoxyphenyl)-2-propyl-1,2-diazabicyclo[2.2.1]hepta-4(7),5-diene Traditional Name: 6-(4-benzoxyphenyl)-3-hexyl-7-methyl-2-propyl-1,2-diazabicyclo[2.2.1]hepta-4(7),5-diene Formula: C28H36N2O MolecularWeight: 416.59824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C2=C(N(N1CCC)C(=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CCCCCCC1C2=C(N(N1CCC)C(=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C28H36N2O/c1-4-6-7-11-14-27-26-20-28(30(22(26)3)29(27)19-5-2)24-15-17-25(18-16-24)31-21-23-12-9-8-10-13-23/h8-10,12-13,15-18,20,27H,4-7,11,14,19,21H2,1-3H3