1-cyano-3-(4-ethanoylphenyl)-2-(3-imidazol-1-ylpropyl)guanidine

Systemtic Name: 1-cyano-3-(4-ethanoylphenyl)-2-(3-imidazol-1-ylpropyl)guanidine Openeye Name: 1-(4-acetylphenyl)-3-cyano-2-(3-imidazol-1-ylpropyl)guanidine CAS Name: 1-(4-acetylphenyl)-3-cyano-2-[3-(1-imidazolyl)propyl]guanidine IUPAC Name: 1-(4-acetylphenyl)-3-cyano-2-(3-imidazol-1-ylpropyl)guanidine Traditional Name: 1-(4-acetylphenyl)-3-cyano-2-(3-imidazol-1-ylpropyl)guanidine Formula: C16H18N6O MolecularWeight: 310.35372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=NCCCN2C=CN=C2)NC#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=NCCCN2C=CN=C2)NC#N

InChI

InChI=1S/C16H18N6O/c1-13(23)14-3-5-15(6-4-14)21-16(20-11-17)19-7-2-9-22-10-8-18-12-22/h3-6,8,10,12H,2,7,9H2,1H3,(H2,19,20,21)