1-[2-[[4-[(5-nitropyridin-2-yl)amino]cyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: 1-[2-[[4-[(5-nitropyridin-2-yl)amino]cyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: 1-[2-[[4-[(5-nitro-2-pyridyl)amino]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: 1-[2-[[4-[(5-nitro-2-pyridinyl)amino]cyclohexyl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-[[4-[(5-nitropyridin-2-yl)amino]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[2-[[4-[(5-nitro-2-pyridyl)amino]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC2CCC(CC2)NC3=NC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CC(N(C1)C(=O)CNC2CCC(CC2)NC3=NC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H24N6O3/c19-10-15-2-1-9-23(15)18(25)12-20-13-3-5-14(6-4-13)22-17-8-7-16(11-21-17)24(26)27/h7-8,11,13-15,20H,1-6,9,12H2,(H,21,22)