2-tert-butyl-3-(4-chlorophenyl)carbonyl-N-cyano-N'-pyridin-3-yl-imidazolidine-1-carboximidamide

Systemtic Name: 2-tert-butyl-3-(4-chlorophenyl)carbonyl-N-cyano-N'-pyridin-3-yl-imidazolidine-1-carboximidamide Openeye Name: 2-tert-butyl-3-(4-chlorobenzoyl)-N-cyano-N'-(3-pyridyl)imidazolidine-1-carboxamidine CAS Name: 2-tert-butyl-3-[(4-chlorophenyl)-oxomethyl]-N-cyano-N'-(3-pyridinyl)-1-imidazolidinecarboximidamide IUPAC Name: 2-tert-butyl-3-(4-chlorobenzoyl)-N-cyano-N'-pyridin-3-ylimidazolidine-1-carboximidamide Traditional Name: 2-tert-butyl-3-(4-chlorobenzoyl)-N-cyano-N'-(3-pyridyl)imidazolidine-1-carboxamidine Formula: C21H23ClN6O MolecularWeight: 410.89992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1N(CCN1C(=NC2=CN=CC=C2)NC#N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1N(CCN1C(=NC2=CN=CC=C2)NC#N)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN6O/c1-21(2,3)19-27(18(29)15-6-8-16(22)9-7-15)11-12-28(19)20(25-14-23)26-17-5-4-10-24-13-17/h4-10,13,19H,11-12H2,1-3H3,(H,25,26)