3-[1,4-diazepan-1-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]quinoline

Systemtic Name: 3-[1,4-diazepan-1-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]quinoline Openeye Name: 3-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]quinoline CAS Name: 3-[1,4-diazepan-1-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]quinoline IUPAC Name: 3-[1,4-diazepan-1-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]quinoline Traditional Name: 3-[(4-benzoxy-3,5-dimethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]quinoline Formula: C30H33N3O3 MolecularWeight: 483.60132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=CC=CC=C4N=C3)N5CCCNCC5

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=CC=CC=C4N=C3)N5CCCNCC5

InChI

InChI=1S/C30H33N3O3/c1-34-27-18-24(19-28(35-2)30(27)36-21-22-9-4-3-5-10-22)29(33-15-8-13-31-14-16-33)25-17-23-11-6-7-12-26(23)32-20-25/h3-7,9-12,17-20,29,31H,8,13-16,21H2,1-2H3