1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-naphthalen-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-naphthalen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2-naphthyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-naphthalenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-naphthalen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2-naphthyl)methyl]-1,4-diazepane Formula: C31H34N2O3 MolecularWeight: 482.61326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=CC=CC=C4C=C3)N5CCCNCC5

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=CC=CC=C4C=C3)N5CCCNCC5

InChI

InChI=1S/C31H34N2O3/c1-34-28-20-27(21-29(35-2)31(28)36-22-23-9-4-3-5-10-23)30(33-17-8-15-32-16-18-33)26-14-13-24-11-6-7-12-25(24)19-26/h3-7,9-14,19-21,30,32H,8,15-18,22H2,1-2H3