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

Systemtic Name: 3-[4-[5-[2-(hydroxymethyl)-5-methyl-pyrrolidin-1-yl]pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-[2-(hydroxymethyl)-5-methyl-pyrrolidin-1-yl]pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzamidine CAS Name: 3-[4-[5-[2-(hydroxymethyl)-5-methyl-1-pyrrolidinyl]pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[4-[5-[2-(hydroxymethyl)-5-methylpyrrolidin-1-yl]pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide Traditional Name: 3-[3-keto-4-[5-(2-methyl-5-methylol-pyrrolidino)pentyl]-1,4-benzoxazin-2-yl]benzamidine Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N)CO

Isomeric SMILES

CC1CCC(N1CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N)CO

InChI

InChI=1S/C26H34N4O3/c1-18-12-13-21(17-31)29(18)14-5-2-6-15-30-22-10-3-4-11-23(22)33-24(26(30)32)19-8-7-9-20(16-19)25(27)28/h3-4,7-11,16,18,21,24,31H,2,5-6,12-15,17H2,1H3,(H3,27,28)