3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-quinoxalin-2-yl]-4-methyl-benzenecarbonitrile

Systemtic Name: 3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-quinoxalin-2-yl]-4-methyl-benzenecarbonitrile Openeye Name: 3-[4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-quinoxalin-2-yl]-4-methyl-benzonitrile CAS Name: 3-[4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-3-oxo-2-quinoxalinyl]-4-methylbenzonitrile IUPAC Name: 3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxoquinoxalin-2-yl]-4-methylbenzonitrile Traditional Name: 3-[4-[5-(2,6-dimethylpiperidino)pentyl]-3-keto-quinoxalin-2-yl]-4-methyl-benzonitrile Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCCCCN2C3=CC=CC=C3N=C(C2=O)C4=C(C=CC(=C4)C#N)C)C

Isomeric SMILES

CC1CCCC(N1CCCCCN2C3=CC=CC=C3N=C(C2=O)C4=C(C=CC(=C4)C#N)C)C

InChI

InChI=1S/C28H34N4O/c1-20-14-15-23(19-29)18-24(20)27-28(33)32(26-13-6-5-12-25(26)30-27)17-8-4-7-16-31-21(2)10-9-11-22(31)3/h5-6,12-15,18,21-22H,4,7-11,16-17H2,1-3H3