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

Systemtic Name: 1-[(2-bromophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[asaryl-(2-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=C2Br)N3CCCNCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC=CC=C2Br)N3CCCNCC3)OC)OC

InChI

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