1-[(2-bromophenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromophenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromophenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromophenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C21H27BrN2O3 MolecularWeight: 435.35468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2Br)N3CCCNCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2Br)N3CCCNCC3

InChI

InChI=1S/C21H27BrN2O3/c1-25-18-13-15(14-19(26-2)21(18)27-3)20(16-7-4-5-8-17(16)22)24-11-6-9-23-10-12-24/h4-5,7-8,13-14,20,23H,6,9-12H2,1-3H3