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

Systemtic Name: 1-[(3-methoxyphenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-methoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-methoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCNCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCNCC4

InChI

InChI=1S/C27H32N2O3/c1-30-24-11-6-10-22(18-24)27(29-16-7-14-28-15-17-29)23-12-13-25(26(19-23)31-2)32-20-21-8-4-3-5-9-21/h3-6,8-13,18-19,27-28H,7,14-17,20H2,1-2H3