3-[3-oxidanylidene-4-(5-piperidin-1-ylpentyl)-1,4-benzoxazin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[3-oxidanylidene-4-(5-piperidin-1-ylpentyl)-1,4-benzoxazin-2-yl]benzenecarbonitrile Openeye Name: 3-[3-oxo-4-[5-(1-piperidyl)pentyl]-1,4-benzoxazin-2-yl]benzonitrile CAS Name: 3-[3-oxo-4-[5-(1-piperidinyl)pentyl]-1,4-benzoxazin-2-yl]benzonitrile IUPAC Name: 3-[3-oxo-4-(5-piperidin-1-ylpentyl)-1,4-benzoxazin-2-yl]benzonitrile Traditional Name: 3-[3-keto-4-(5-piperidinopentyl)-1,4-benzoxazin-2-yl]benzonitrile Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCN(CC1)CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H29N3O2/c26-19-20-10-9-11-21(18-20)24-25(29)28(22-12-3-4-13-23(22)30-24)17-8-2-7-16-27-14-5-1-6-15-27/h3-4,9-13,18,24H,1-2,5-8,14-17H2