N'-oxidanyl-3-oxidanylidene-2-phenyl-4-(5-piperidin-1-ylpentyl)-1,4-benzoxazine-6-carboximidamide

Systemtic Name: N'-oxidanyl-3-oxidanylidene-2-phenyl-4-(5-piperidin-1-ylpentyl)-1,4-benzoxazine-6-carboximidamide Openeye Name: N'-hydroxy-3-oxo-2-phenyl-4-[5-(1-piperidyl)pentyl]-1,4-benzoxazine-6-carboxamidine CAS Name: N'-hydroxy-3-oxo-2-phenyl-4-[5-(1-piperidinyl)pentyl]-1,4-benzoxazine-6-carboximidamide IUPAC Name: N'-hydroxy-3-oxo-2-phenyl-4-(5-piperidin-1-ylpentyl)-1,4-benzoxazine-6-carboximidamide Traditional Name: N'-hydroxy-3-keto-2-phenyl-4-(5-piperidinopentyl)-1,4-benzoxazine-6-carboxamidine Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCCN2C3=C(C=CC(=C3)C(=NO)N)OC(C2=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCCCCN2C3=C(C=CC(=C3)/C(=N\O)/N)OC(C2=O)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O3/c26-24(27-31)20-12-13-22-21(18-20)29(17-9-3-8-16-28-14-6-2-7-15-28)25(30)23(32-22)19-10-4-1-5-11-19/h1,4-5,10-13,18,23,31H,2-3,6-9,14-17H2,(H2,26,27)