carbonic acid; ethanenitrile; ethene; 4-(1-pyrimidin-2-ylpentyl)benzenecarbonitrile

Systemtic Name: carbonic acid; ethanenitrile; ethene; 4-(1-pyrimidin-2-ylpentyl)benzenecarbonitrile Openeye Name: acetonitrile; carbonic acid; ethylene; 4-(1-pyrimidin-2-ylpentyl)benzonitrile CAS Name: acetonitrile; carbonic acid; ethene; 4-[1-(2-pyrimidinyl)pentyl]benzonitrile IUPAC Name: acetonitrile; carbonic acid; ethene; 4-(1-pyrimidin-2-ylpentyl)benzonitrile Traditional Name: acetonitrile; carbonic acid; ethylene; 4-[1-(2-pyrimidyl)pentyl]benzonitrile Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)C#N)C2=NC=CC=N2.CC#N.C=C.C(=O)(O)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)C#N)C2=NC=CC=N2.CC#N.C=C.C(=O)(O)O

InChI

InChI=1S/C16H17N3.C2H3N.C2H4.CH2O3/c1-2-3-5-15(16-18-10-4-11-19-16)14-8-6-13(12-17)7-9-14;1-2-3;1-2;2-1(3)4/h4,6-11,15H,2-3,5H2,1H3;1H3;1-2H2;(H2,2,3,4)