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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC(=CC=C2)Br)N3CCCNCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC(=CC=C2)Br)N3CCCNCC3)OC)OC

InChI

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