4-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-nitro-benzonitrile CAS Name: 4-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-nitrobenzonitrile Traditional Name: 4-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-nitro-benzonitrile Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC(=NN1)C2=CC=CC=C2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC1=CC(=NN1)C2=CC=CC=C2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O2/c1-24(19-10-9-15(14-21)12-20(19)25(26)27)11-5-8-17-13-18(23-22-17)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,22,23)