3-[3-oxidanylidene-4-(5-pyrazolidin-1-ylpentyl)-1,4-benzoxazin-2-yl]benzenecarboximidamide

Systemtic Name: 3-[3-oxidanylidene-4-(5-pyrazolidin-1-ylpentyl)-1,4-benzoxazin-2-yl]benzenecarboximidamide Openeye Name: 3-[3-oxo-4-(5-pyrazolidin-1-ylpentyl)-1,4-benzoxazin-2-yl]benzamidine CAS Name: 3-[3-oxo-4-[5-(1-pyrazolidinyl)pentyl]-1,4-benzoxazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[3-oxo-4-(5-pyrazolidin-1-ylpentyl)-1,4-benzoxazin-2-yl]benzenecarboximidamide Traditional Name: 3-[3-keto-4-(5-pyrazolidin-1-ylpentyl)-1,4-benzoxazin-2-yl]benzamidine Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

C1CNN(C1)CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CNN(C1)CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C23H29N5O2/c24-22(25)18-9-6-8-17(16-18)21-23(29)28(19-10-2-3-11-20(19)30-21)15-5-1-4-13-27-14-7-12-26-27/h2-3,6,8-11,16,21,26H,1,4-5,7,12-15H2,(H3,24,25)