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

Systemtic Name: 3-[4-[5-(1-methylimidazol-2-yl)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-(1-methylimidazol-2-yl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzamidine CAS Name: 3-[4-[5-(1-methyl-2-imidazolyl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[4-[5-(1-methylimidazol-2-yl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide Traditional Name: 3-[3-keto-4-[5-(1-methylimidazol-2-yl)pentyl]-1,4-benzoxazin-2-yl]benzamidine Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CN1C=CN=C1CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C24H27N5O2/c1-28-15-13-27-21(28)12-3-2-6-14-29-19-10-4-5-11-20(19)31-22(24(29)30)17-8-7-9-18(16-17)23(25)26/h4-5,7-11,13,15-16,22H,2-3,6,12,14H2,1H3,(H3,25,26)