4-[5-[4-(3-methylpentyl)cyclohexyl]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[4-(3-methylpentyl)cyclohexyl]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-[4-(3-methylpentyl)cyclohexyl]pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-[4-(3-methylpentyl)cyclohexyl]-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-[4-(3-methylpentyl)cyclohexyl]pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-[4-(3-methylpentyl)cyclohexyl]pyrimidin-2-yl]benzonitrile Formula: C23H29N3 MolecularWeight: 347.49646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC(C)CCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H29N3/c1-3-17(2)4-5-18-6-10-20(11-7-18)22-15-25-23(26-16-22)21-12-8-19(14-24)9-13-21/h8-9,12-13,15-18,20H,3-7,10-11H2,1-2H3