6-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[4-[4-(2-methyl-5-quinolyl)piperazin-1-yl]butyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[4-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]butyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[4-[4-(2-methyl-5-quinolyl)piperazino]butyl]-4H-1,4-benzoxazin-3-one Formula: C26H30N4O2 MolecularWeight: 430.542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCCCC4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCCCC4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C26H30N4O2/c1-19-8-10-21-22(27-19)6-4-7-24(21)30-15-13-29(14-16-30)12-3-2-5-20-9-11-25-23(17-20)28-26(31)18-32-25/h4,6-11,17H,2-3,5,12-16,18H2,1H3,(H,28,31)