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

Systemtic Name: 4-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarbonitrile Openeye Name: 4-[4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzonitrile CAS Name: 4-[4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzonitrile IUPAC Name: 4-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzonitrile Traditional Name: 4-[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=C(C=C4)C#N)C

Isomeric SMILES

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

InChI

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