3-chloranyl-4-[[4-[cyclobutylmethyl(propyl)amino]-6-methyl-3-nitro-pyridin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[[4-[cyclobutylmethyl(propyl)amino]-6-methyl-3-nitro-pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-chloro-4-[[4-[cyclobutylmethyl(propyl)amino]-6-methyl-3-nitro-2-pyridyl]amino]benzonitrile CAS Name: 3-chloro-4-[[4-[cyclobutylmethyl(propyl)amino]-6-methyl-3-nitro-2-pyridinyl]amino]benzonitrile IUPAC Name: 3-chloro-4-[[4-[cyclobutylmethyl(propyl)amino]-6-methyl-3-nitropyridin-2-yl]amino]benzonitrile Traditional Name: 3-chloro-4-[[4-[cyclobutylmethyl(propyl)amino]-6-methyl-3-nitro-2-pyridyl]amino]benzonitrile Formula: C21H24ClN5O2 MolecularWeight: 413.90056

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CCC1)C2=CC(=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)C#N)Cl)C

Isomeric SMILES

CCCN(CC1CCC1)C2=CC(=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)C#N)Cl)C

InChI

InChI=1S/C21H24ClN5O2/c1-3-9-26(13-15-5-4-6-15)19-10-14(2)24-21(20(19)27(28)29)25-18-8-7-16(12-23)11-17(18)22/h7-8,10-11,15H,3-6,9,13H2,1-2H3,(H,24,25)