3-[6-methyl-5-(4-methylpiperazin-1-yl)carbonyl-2-phenyl-pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[6-methyl-5-(4-methylpiperazin-1-yl)carbonyl-2-phenyl-pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 3-[6-methyl-5-(4-methylpiperazine-1-carbonyl)-2-phenyl-pyrimidin-4-yl]benzonitrile CAS Name: 3-[6-methyl-5-[(4-methyl-1-piperazinyl)-oxomethyl]-2-phenyl-4-pyrimidinyl]benzonitrile IUPAC Name: 3-[6-methyl-5-(4-methylpiperazine-1-carbonyl)-2-phenylpyrimidin-4-yl]benzonitrile Traditional Name: 3-[6-methyl-5-(4-methylpiperazine-1-carbonyl)-2-phenyl-pyrimidin-4-yl]benzonitrile Formula: C24H23N5O MolecularWeight: 397.47232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)N2CCN(CC2)C)C3=CC=CC(=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)N2CCN(CC2)C)C3=CC=CC(=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H23N5O/c1-17-21(24(30)29-13-11-28(2)12-14-29)22(20-10-6-7-18(15-20)16-25)27-23(26-17)19-8-4-3-5-9-19/h3-10,15H,11-14H2,1-2H3