1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=CC=C2)OC)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=CC=C2)OC)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H34N2O3/c1-3-32-27-20-24(13-14-26(27)33-21-22-9-5-4-6-10-22)28(30-17-8-15-29-16-18-30)23-11-7-12-25(19-23)31-2/h4-7,9-14,19-20,28-29H,3,8,15-18,21H2,1-2H3