4-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-nitro-benzamide

Systemtic Name: 4-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-nitro-benzamide Openeye Name: 4-[(4-ethylphenyl)methyl-(3-pyridylmethyl)amino]-3-nitro-benzamide CAS Name: 4-[(4-ethylphenyl)methyl-(3-pyridinylmethyl)amino]-3-nitrobenzamide IUPAC Name: 4-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-nitrobenzamide Traditional Name: 4-[(4-ethylbenzyl)-(3-pyridylmethyl)amino]-3-nitro-benzamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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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)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c1-2-16-5-7-17(8-6-16)14-25(15-18-4-3-11-24-13-18)20-10-9-19(22(23)27)12-21(20)26(28)29/h3-13H,2,14-15H2,1H3,(H2,23,27)