4-(3-chloranyl-4-cyano-phenyl)-N-(2-cyclopropylpyrimidin-5-yl)-2,5-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-(3-chloranyl-4-cyano-phenyl)-N-(2-cyclopropylpyrimidin-5-yl)-2,5-dimethyl-piperazine-1-carboxamide Openeye Name: 4-(3-chloro-4-cyano-phenyl)-N-(2-cyclopropylpyrimidin-5-yl)-2,5-dimethyl-piperazine-1-carboxamide CAS Name: 4-(3-chloro-4-cyanophenyl)-N-(2-cyclopropyl-5-pyrimidinyl)-2,5-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-(3-chloro-4-cyanophenyl)-N-(2-cyclopropylpyrimidin-5-yl)-2,5-dimethylpiperazine-1-carboxamide Traditional Name: 4-(3-chloro-4-cyano-phenyl)-N-(2-cyclopropylpyrimidin-5-yl)-2,5-dimethyl-piperazine-1-carboxamide Formula: C21H23ClN6O MolecularWeight: 410.89992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)NC2=CN=C(N=C2)C3CC3)C)C4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

CC1CN(C(CN1C(=O)NC2=CN=C(N=C2)C3CC3)C)C4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C21H23ClN6O/c1-13-12-28(21(29)26-17-9-24-20(25-10-17)15-3-4-15)14(2)11-27(13)18-6-5-16(8-23)19(22)7-18/h5-7,9-10,13-15H,3-4,11-12H2,1-2H3,(H,26,29)