2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[3-[4-(4-methyl-2-pyridyl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[3-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[3-[4-(4-methyl-2-pyridyl)piperazino]propyl]-4H-1,4-benzoxazin-3-one Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2CCN(CC2)CCCC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=NC=C1)N2CCN(CC2)CCCC3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C21H26N4O2/c1-16-8-9-22-20(15-16)25-13-11-24(12-14-25)10-4-7-19-21(26)23-17-5-2-3-6-18(17)27-19/h2-3,5-6,8-9,15,19H,4,7,10-14H2,1H3,(H,23,26)