3-pentylbenzenecarbonitrile; 5-[1-(4-pentylcyclohexyl)ethyl]-2-phenyl-pyrimidine

Systemtic Name: 3-pentylbenzenecarbonitrile; 5-[1-(4-pentylcyclohexyl)ethyl]-2-phenyl-pyrimidine Openeye Name: 3-pentylbenzonitrile; 5-[1-(4-pentylcyclohexyl)ethyl]-2-phenyl-pyrimidine CAS Name: 3-pentylbenzonitrile; 5-[1-(4-pentylcyclohexyl)ethyl]-2-phenylpyrimidine IUPAC Name: 3-pentylbenzonitrile; 5-[1-(4-pentylcyclohexyl)ethyl]-2-phenylpyrimidine Traditional Name: 3-amylbenzonitrile; 5-[1-(4-amylcyclohexyl)ethyl]-2-phenyl-pyrimidine Formula: C35H47N3 MolecularWeight: 509.76778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(C)C2=CN=C(N=C2)C3=CC=CC=C3.CCCCCC1=CC=CC(=C1)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C(C)C2=CN=C(N=C2)C3=CC=CC=C3.CCCCCC1=CC=CC(=C1)C#N

InChI

InChI=1S/C23H32N2.C12H15N/c1-3-4-6-9-19-12-14-20(15-13-19)18(2)22-16-24-23(25-17-22)21-10-7-5-8-11-21;1-2-3-4-6-11-7-5-8-12(9-11)10-13/h5,7-8,10-11,16-20H,3-4,6,9,12-15H2,1-2H3;5,7-9H,2-4,6H2,1H3