2-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanenitrile

Systemtic Name: 2-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanenitrile Openeye Name: 2-(4-methoxyphenyl)-2-[3-(1-piperidyl)quinoxalin-2-yl]acetonitrile CAS Name: 2-(4-methoxyphenyl)-2-[3-(1-piperidinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)acetonitrile Traditional Name: 2-(4-methoxyphenyl)-2-(3-piperidinoquinoxalin-2-yl)acetonitrile Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCCC4

InChI

InChI=1S/C22H22N4O/c1-27-17-11-9-16(10-12-17)18(15-23)21-22(26-13-5-2-6-14-26)25-20-8-4-3-7-19(20)24-21/h3-4,7-12,18H,2,5-6,13-14H2,1H3