5-nitro-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-diazepan-1-yl]benzonitrile IUPAC Name: 5-nitro-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]benzonitrile Traditional Name: 2-[4-(2-keto-2-pyrrolidino-ethyl)-1,4-diazepan-1-yl]-5-nitro-benzonitrile Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H23N5O3/c19-13-15-12-16(23(25)26)4-5-17(15)21-9-3-6-20(10-11-21)14-18(24)22-7-1-2-8-22/h4-5,12H,1-3,6-11,14H2