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

Systemtic Name: 1-[(2-bromophenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromophenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromophenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Formula: C22H29BrN2O2 MolecularWeight: 433.38186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=CC=C2Br)N3CCCNCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=CC=C2Br)N3CCCNCC3)OCC

InChI

InChI=1S/C22H29BrN2O2/c1-3-26-20-11-10-17(16-21(20)27-4-2)22(18-8-5-6-9-19(18)23)25-14-7-12-24-13-15-25/h5-6,8-11,16,22,24H,3-4,7,12-15H2,1-2H3