1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C27H32N2O4/c1-30-24-18-21(19-25(31-2)27(24)32-3)26(29-15-8-13-28-14-16-29)20-9-7-12-23(17-20)33-22-10-5-4-6-11-22/h4-7,9-12,17-19,26,28H,8,13-16H2,1-3H3