2-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-5-nitro-benzonitrile Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H22N4O3/c19-13-15-12-16(22(24)25)6-7-17(15)20-8-3-9-21(11-10-20)18(23)14-4-1-2-5-14/h6-7,12,14H,1-5,8-11H2