[4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]-(2-chloranylpyridin-3-yl)methanone

Systemtic Name: [4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]-(2-chloranylpyridin-3-yl)methanone Openeye Name: [4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]-(2-chloro-3-pyridyl)methanone CAS Name: [4-[4-(4-tert-butylphenyl)-2-pyrimidinyl]-1-piperazinyl]-(2-chloro-3-pyridinyl)methanone IUPAC Name: [4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]-(2-chloropyridin-3-yl)methanone Traditional Name: [4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazino]-(2-chloro-3-pyridyl)methanone Formula: C24H26ClN5O MolecularWeight: 435.94914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NC=C2)N3CCN(CC3)C(=O)C4=C(N=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NC=C2)N3CCN(CC3)C(=O)C4=C(N=CC=C4)Cl

InChI

InChI=1S/C24H26ClN5O/c1-24(2,3)18-8-6-17(7-9-18)20-10-12-27-23(28-20)30-15-13-29(14-16-30)22(31)19-5-4-11-26-21(19)25/h4-12H,13-16H2,1-3H3