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

Systemtic Name: 6-[2-[4-(2-phenylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-(2-phenyl-5-quinolyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[4-(2-phenyl-5-quinolinyl)-1-piperazinyl]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[4-(2-phenylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[4-(2-phenyl-5-quinolyl)piperazino]ethyl]-4H-1,4-benzoxazin-3-one Formula: C29H28N4O2 MolecularWeight: 464.55822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)OCC(=O)N3)C4=CC=CC5=C4C=CC(=N5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)OCC(=O)N3)C4=CC=CC5=C4C=CC(=N5)C6=CC=CC=C6

InChI

InChI=1S/C29H28N4O2/c34-29-20-35-28-12-9-21(19-26(28)31-29)13-14-32-15-17-33(18-16-32)27-8-4-7-25-23(27)10-11-24(30-25)22-5-2-1-3-6-22/h1-12,19H,13-18,20H2,(H,31,34)