4-[[4-[2-(2-nitrophenyl)ethanoyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2-nitrophenyl)ethanoyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-nitrophenyl)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(2-nitrophenyl)-1-oxoethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2-nitrophenyl)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-nitrophenyl)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N4O3/c22-15-17-6-8-18(9-7-17)16-23-10-3-11-24(13-12-23)21(26)14-19-4-1-2-5-20(19)25(27)28/h1-2,4-9H,3,10-14,16H2