N-cyano-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-4-phenyl-piperazine-1-carboximidamide

Systemtic Name: N-cyano-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-4-phenyl-piperazine-1-carboximidamide Openeye Name: N-cyano-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-4-phenyl-piperazine-1-carboxamidine CAS Name: N-cyano-N'-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-4-phenyl-1-piperazinecarboximidamide IUPAC Name: N-cyano-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]-4-phenylpiperazine-1-carboximidamide Traditional Name: N-cyano-N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-4-phenyl-piperazine-1-carboxamidine Formula: C24H33N7O2 MolecularWeight: 451.56452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)N2CCN(CC2)C3=CC=CC=C3)CC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)N2CCN(CC2)C3=CC=CC=C3)CC(=O)N4CCCC4

InChI

InChI=1S/C24H33N7O2/c25-19-26-24(30-16-14-28(15-17-30)20-8-2-1-3-9-20)27-21-10-4-5-13-31(23(21)33)18-22(32)29-11-6-7-12-29/h1-3,8-9,21H,4-7,10-18H2,(H,26,27)