4-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[4-(3-methylphenoxy)-2-pyrimidinyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazine-1-carbonyl]benzonitrile Formula: C23H21N5O2 MolecularWeight: 399.44514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H21N5O2/c1-17-3-2-4-20(15-17)30-21-9-10-25-23(26-21)28-13-11-27(12-14-28)22(29)19-7-5-18(16-24)6-8-19/h2-10,15H,11-14H2,1H3