N-(3-bromophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(3-bromophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(3-bromophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(3-bromophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(3-bromophenyl)-2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]acetamide Formula: C21H23BrN4O MolecularWeight: 427.33752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NC2=CC(=CC=C2)Br)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NC2=CC(=CC=C2)Br)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23BrN4O/c22-19-3-1-4-20(13-19)24-21(27)16-26-10-2-9-25(11-12-26)15-18-7-5-17(14-23)6-8-18/h1,3-8,13H,2,9-12,15-16H2,(H,24,27)