6-methyl-4-[4-oxidanylidene-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-methyl-4-[4-oxidanylidene-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazin-3-one Openeye Name: 6-methyl-4-[4-oxo-4-[4-(2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazin-3-one CAS Name: 6-methyl-4-[4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazin-3-one IUPAC Name: 6-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazin-3-one Traditional Name: 4-[4-keto-4-[4-(2-pyridyl)piperazino]butyl]-6-methyl-1,4-benzoxazin-3-one Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H26N4O3/c1-17-7-8-19-18(15-17)26(22(28)16-29-19)10-4-6-21(27)25-13-11-24(12-14-25)20-5-2-3-9-23-20/h2-3,5,7-9,15H,4,6,10-14,16H2,1H3