N-(4H-1,4-benzoxazin-3-ylmethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine

Systemtic Name: N-(4H-1,4-benzoxazin-3-ylmethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine Openeye Name: N-(4H-1,4-benzoxazin-3-ylmethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine CAS Name: N-(4H-1,4-benzoxazin-3-ylmethyl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]-1-butanamine IUPAC Name: N-(4H-1,4-benzoxazin-3-ylmethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine Traditional Name: 4H-1,4-benzoxazin-3-ylmethyl-[4-[4-(2-pyrimidyl)piperazino]butyl]amine Formula: C21H28N6O MolecularWeight: 380.48662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNCC2=COC3=CC=CC=C3N2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCNCC2=COC3=CC=CC=C3N2)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O/c1-2-7-20-19(6-1)25-18(17-28-20)16-22-8-3-4-11-26-12-14-27(15-13-26)21-23-9-5-10-24-21/h1-2,5-7,9-10,17,22,25H,3-4,8,11-16H2