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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(3-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(m-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(m-tolyl)methyl]-1,4-diazepane Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O2/c1-3-31-27-20-25(13-14-26(27)32-21-23-10-5-4-6-11-23)28(24-12-7-9-22(2)19-24)30-17-8-15-29-16-18-30/h4-7,9-14,19-20,28-29H,3,8,15-18,21H2,1-2H3