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

Systemtic Name: 3-[4-[5-(1-adamantylamino)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-(1-adamantylamino)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzamidine CAS Name: 3-[4-[5-(1-adamantylamino)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[4-[5-(1-adamantylamino)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide Traditional Name: 3-[4-[5-(1-adamantylamino)pentyl]-3-keto-1,4-benzoxazin-2-yl]benzamidine Formula: C30H38N4O2 MolecularWeight: 486.64832

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCCCCCN4C5=CC=CC=C5OC(C4=O)C6=CC=CC(=C6)C(=N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCCCCCN4C5=CC=CC=C5OC(C4=O)C6=CC=CC(=C6)C(=N)N

InChI

InChI=1S/C30H38N4O2/c31-28(32)24-8-6-7-23(16-24)27-29(35)34(25-9-2-3-10-26(25)36-27)12-5-1-4-11-33-30-17-20-13-21(18-30)15-22(14-20)19-30/h2-3,6-10,16,20-22,27,33H,1,4-5,11-15,17-19H2,(H3,31,32)