N-(4-chloranyl-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]ethanamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]acetamide CAS Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]acetamide Formula: C24H31ClN6O MolecularWeight: 454.99554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC(=O)N(CCC#N)C3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC(=O)N(CCC#N)C3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C24H31ClN6O/c1-17(2)24-27-19(4)15-22(28-24)30-12-10-29(11-13-30)16-23(32)31(9-5-8-26)20-6-7-21(25)18(3)14-20/h6-7,14-15,17H,5,9-13,16H2,1-4H3