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

Systemtic Name: 1-[(4-bromophenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-bromophenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(4-bromophenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-bromophenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-bromophenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Formula: C24H25BrN2O MolecularWeight: 437.3721

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=C(C=C2)Br)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)Br)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H25BrN2O/c25-21-12-10-19(11-13-21)24(27-16-5-14-26-15-17-27)20-6-4-9-23(18-20)28-22-7-2-1-3-8-22/h1-4,6-13,18,24,26H,5,14-17H2