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

Systemtic Name: 3-[4-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzamidine CAS Name: 3-[4-[5-[2-(hydroxymethyl)-1-pyrrolidinyl]pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[4-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide Traditional Name: 3-[3-keto-4-[5-(2-methylolpyrrolidino)pentyl]-1,4-benzoxazin-2-yl]benzamidine Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N)CO

Isomeric SMILES

C1CC(N(C1)CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N)CO

InChI

InChI=1S/C25H32N4O3/c26-24(27)19-9-6-8-18(16-19)23-25(31)29(21-11-2-3-12-22(21)32-23)15-5-1-4-13-28-14-7-10-20(28)17-30/h2-3,6,8-9,11-12,16,20,23,30H,1,4-5,7,10,13-15,17H2,(H3,26,27)