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

Systemtic Name: 1-[(3-bromophenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-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=C2)Br)N3CCCNCC3

Isomeric SMILES

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

InChI

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