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

Systemtic Name: 3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzonitrile CAS Name: 3-[4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzonitrile IUPAC Name: 3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzonitrile Traditional Name: 3-[4-[5-(2,6-dimethylpiperidino)pentyl]-3-keto-1,4-benzoxazin-2-yl]benzonitrile Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C#N)C

Isomeric SMILES

CC1CCCC(N1CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C#N)C

InChI

InChI=1S/C27H33N3O2/c1-20-10-8-11-21(2)29(20)16-6-3-7-17-30-24-14-4-5-15-25(24)32-26(27(30)31)23-13-9-12-22(18-23)19-28/h4-5,9,12-15,18,20-21,26H,3,6-8,10-11,16-17H2,1-2H3