4-[3-(2-methyl-5-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[3-(2-methyl-5-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[3-[2-methyl-5-(4-pyridyl)pyrimidin-4-yl]piperidine-1-carbonyl]benzonitrile CAS Name: 4-[[3-(2-methyl-5-pyridin-4-yl-4-pyrimidinyl)-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]benzonitrile Traditional Name: 4-[3-[2-methyl-5-(4-pyridyl)pyrimidin-4-yl]piperidine-1-carbonyl]benzonitrile Formula: C23H21N5O MolecularWeight: 383.44574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)C3=CC=C(C=C3)C#N)C4=CC=NC=C4

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)C3=CC=C(C=C3)C#N)C4=CC=NC=C4

InChI

InChI=1S/C23H21N5O/c1-16-26-14-21(18-8-10-25-11-9-18)22(27-16)20-3-2-12-28(15-20)23(29)19-6-4-17(13-24)5-7-19/h4-11,14,20H,2-3,12,15H2,1H3