11-phenethyloxy-3-(phenylmethyl)-1,2,4,5-tetrahydroazepino[4,5-b]quinoline

Systemtic Name: 11-phenethyloxy-3-(phenylmethyl)-1,2,4,5-tetrahydroazepino[4,5-b]quinoline Openeye Name: 3-benzyl-11-phenethyloxy-1,2,4,5-tetrahydroazepino[4,5-b]quinoline CAS Name: 11-phenethyloxy-3-(phenylmethyl)-1,2,4,5-tetrahydroazepino[4,5-b]quinoline IUPAC Name: 3-benzyl-11-phenethyloxy-1,2,4,5-tetrahydroazepino[4,5-b]quinoline Traditional Name: 3-benzyl-11-phenethyloxy-1,2,4,5-tetrahydroazepino[4,5-b]quinoline Formula: C28H28N2O MolecularWeight: 408.53472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=NC3=CC=CC=C3C(=C21)OCCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC2=NC3=CC=CC=C3C(=C21)OCCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N2O/c1-3-9-22(10-4-1)17-20-31-28-24-13-7-8-14-26(24)29-27-16-19-30(18-15-25(27)28)21-23-11-5-2-6-12-23/h1-14H,15-21H2