4-[[4-(5-chloranyl-2-morpholin-4-yl-pyrimidin-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-chloranyl-2-morpholin-4-yl-pyrimidin-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-chloro-2-morpholino-pyrimidine-4-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[5-chloro-2-(4-morpholinyl)-4-pyrimidinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-chloro-2-morpholin-4-ylpyrimidine-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-chloro-2-morpholino-pyrimidine-4-carbonyl)piperazino]methyl]benzonitrile Formula: C21H23ClN6O2 MolecularWeight: 426.89932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=NC(=NC=C3Cl)N4CCOCC4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=NC(=NC=C3Cl)N4CCOCC4

InChI

InChI=1S/C21H23ClN6O2/c22-18-14-24-21(28-9-11-30-12-10-28)25-19(18)20(29)27-7-5-26(6-8-27)15-17-3-1-16(13-23)2-4-17/h1-4,14H,5-12,15H2