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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCNCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCNCC3)OC)OC

InChI

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