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

Systemtic Name: 3-[3-oxidanylidene-4-[5-(2-phenylpiperidin-1-yl)pentyl]-1,4-benzoxazin-2-yl]benzenecarboximidamide Openeye Name: 3-[3-oxo-4-[5-(2-phenyl-1-piperidyl)pentyl]-1,4-benzoxazin-2-yl]benzamidine CAS Name: 3-[3-oxo-4-[5-(2-phenyl-1-piperidinyl)pentyl]-1,4-benzoxazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[3-oxo-4-[5-(2-phenylpiperidin-1-yl)pentyl]-1,4-benzoxazin-2-yl]benzenecarboximidamide Traditional Name: 3-[3-keto-4-[5-(2-phenylpiperidino)pentyl]-1,4-benzoxazin-2-yl]benzamidine Formula: C31H36N4O2 MolecularWeight: 496.64314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CC=CC=C2)CCCCCN3C4=CC=CC=C4OC(C3=O)C5=CC=CC(=C5)C(=N)N

Isomeric SMILES

C1CCN(C(C1)C2=CC=CC=C2)CCCCCN3C4=CC=CC=C4OC(C3=O)C5=CC=CC(=C5)C(=N)N

InChI

InChI=1S/C31H36N4O2/c32-30(33)25-15-11-14-24(22-25)29-31(36)35(27-17-5-6-18-28(27)37-29)21-9-2-8-19-34-20-10-7-16-26(34)23-12-3-1-4-13-23/h1,3-6,11-15,17-18,22,26,29H,2,7-10,16,19-21H2,(H3,32,33)