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

Systemtic Name: 1-[(2-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-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=C2Br)N3CCCNCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC=CC=C2Br)N3CCCNCC3)OC)OC

InChI

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