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

Systemtic Name: 3-[4-[5-(3,5-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-(3,5-dimethyl-1-piperidyl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzamidine CAS Name: 3-[4-[5-(3,5-dimethyl-1-piperidinyl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[4-[5-(3,5-dimethylpiperidin-1-yl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide Traditional Name: 3-[4-[5-(3,5-dimethylpiperidino)pentyl]-3-keto-1,4-benzoxazin-2-yl]benzamidine Formula: C27H36N4O2 MolecularWeight: 448.60034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N)C

Isomeric SMILES

CC1CC(CN(C1)CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N)C

InChI

InChI=1S/C27H36N4O2/c1-19-15-20(2)18-30(17-19)13-6-3-7-14-31-23-11-4-5-12-24(23)33-25(27(31)32)21-9-8-10-22(16-21)26(28)29/h4-5,8-12,16,19-20,25H,3,6-7,13-15,17-18H2,1-2H3,(H3,28,29)