2-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(4-ethylphenyl)methyl-(3-pyridylmethyl)amino]-5-nitro-benzonitrile CAS Name: 2-[(4-ethylphenyl)methyl-(3-pyridinylmethyl)amino]-5-nitrobenzonitrile IUPAC Name: 2-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-5-nitrobenzonitrile Traditional Name: 2-[(4-ethylbenzyl)-(3-pyridylmethyl)amino]-5-nitro-benzonitrile Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H20N4O2/c1-2-17-5-7-18(8-6-17)15-25(16-19-4-3-11-24-14-19)22-10-9-21(26(27)28)12-20(22)13-23/h3-12,14H,2,15-16H2,1H3