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

Systemtic Name: 6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-[4-(2-methyl-5-quinolyl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-[4-(2-methyl-5-quinolyl)piperazino]propyl]-4H-1,4-benzoxazin-3-one Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCCC4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCCC4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C25H28N4O2/c1-18-7-9-20-21(26-18)5-2-6-23(20)29-14-12-28(13-15-29)11-3-4-19-8-10-24-22(16-19)27-25(30)17-31-24/h2,5-10,16H,3-4,11-15,17H2,1H3,(H,27,30)