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

Systemtic Name: 6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-[4-(2-methyl-5-quinolyl)piperazin-1-yl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-[4-(2-methyl-5-quinolyl)piperazino]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3/c1-17-5-7-19-20(26-17)3-2-4-22(19)29-13-11-28(12-14-29)10-9-23(30)18-6-8-24-21(15-18)27-25(31)16-32-24/h2-8,15H,9-14,16H2,1H3,(H,27,31)