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

Systemtic Name: 3-[4-[5-(2-azanylidenepiperidin-1-yl)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-(2-imino-1-piperidyl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzamidine CAS Name: 3-[4-[5-(2-imino-1-piperidinyl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[4-[5-(2-iminopiperidin-1-yl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide Traditional Name: 3-[4-[5-(2-iminopiperidino)pentyl]-3-keto-1,4-benzoxazin-2-yl]benzamidine Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=N)C1)CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CCN(C(=N)C1)CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C25H31N5O2/c26-22-13-4-7-15-29(22)14-5-1-6-16-30-20-11-2-3-12-21(20)32-23(25(30)31)18-9-8-10-19(17-18)24(27)28/h2-3,8-12,17,23,26H,1,4-7,13-16H2,(H3,27,28)