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

Systemtic Name: 3-[4-[5-(2,5-dimethylimidazol-1-yl)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-(2,5-dimethylimidazol-1-yl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzamidine CAS Name: 3-[4-[5-(2,5-dimethyl-1-imidazolyl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[4-[5-(2,5-dimethylimidazol-1-yl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide Traditional Name: 3-[4-[5-(2,5-dimethylimidazol-1-yl)pentyl]-3-keto-1,4-benzoxazin-2-yl]benzamidine Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N1CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N)C

Isomeric SMILES

CC1=CN=C(N1CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N)C

InChI

InChI=1S/C25H29N5O2/c1-17-16-28-18(2)29(17)13-6-3-7-14-30-21-11-4-5-12-22(21)32-23(25(30)31)19-9-8-10-20(15-19)24(26)27/h4-5,8-12,15-16,23H,3,6-7,13-14H2,1-2H3,(H3,26,27)