N-(2-bromanyl-4-nitro-phenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]acetamide Formula: C21H22BrN5O3 MolecularWeight: 472.33508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN5O3/c22-19-12-18(27(29)30)6-7-20(19)24-21(28)15-26-9-1-8-25(10-11-26)14-17-4-2-16(13-23)3-5-17/h2-7,12H,1,8-11,14-15H2,(H,24,28)