[2-cyano-4-(1-imidazol-1-ylpentyl)pyridin-3-yl] 4-chloranylbenzoate

Systemtic Name: [2-cyano-4-(1-imidazol-1-ylpentyl)pyridin-3-yl] 4-chloranylbenzoate Openeye Name: [2-cyano-4-(1-imidazol-1-ylpentyl)-3-pyridyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-cyano-4-[1-(1-imidazolyl)pentyl]-3-pyridinyl] ester IUPAC Name: [2-cyano-4-(1-imidazol-1-ylpentyl)pyridin-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-cyano-4-(1-imidazol-1-ylpentyl)-3-pyridyl] ester Formula: C21H19ClN4O2 MolecularWeight: 394.85416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(C(=NC=C1)C#N)OC(=O)C2=CC=C(C=C2)Cl)N3C=CN=C3

Isomeric SMILES

CCCCC(C1=C(C(=NC=C1)C#N)OC(=O)C2=CC=C(C=C2)Cl)N3C=CN=C3

InChI

InChI=1S/C21H19ClN4O2/c1-2-3-4-19(26-12-11-24-14-26)17-9-10-25-18(13-23)20(17)28-21(27)15-5-7-16(22)8-6-15/h5-12,14,19H,2-4H2,1H3