4-chloranyl-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 4-chloranyl-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-chloro-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzamide CAS Name: 4-chloro-N-[4-[[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-chloro-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-chloro-N-[4-[(4-methyl-6-pyrrolidino-pyrimidin-2-yl)amino]phenyl]benzamide Formula: C22H22ClN5O MolecularWeight: 407.89598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)N4CCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)N4CCCC4

InChI

InChI=1S/C22H22ClN5O/c1-15-14-20(28-12-2-3-13-28)27-22(24-15)26-19-10-8-18(9-11-19)25-21(29)16-4-6-17(23)7-5-16/h4-11,14H,2-3,12-13H2,1H3,(H,25,29)(H,24,26,27)