2-[3-(4-butylpiperidin-1-yl)propyl]-6,8-bis(chloranyl)-7-methyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-[3-(4-butylpiperidin-1-yl)propyl]-6,8-bis(chloranyl)-7-methyl-4H-1,4-benzoxazin-3-one Openeye Name: 2-[3-(4-butyl-1-piperidyl)propyl]-6,8-dichloro-7-methyl-4H-1,4-benzoxazin-3-one CAS Name: 2-[3-(4-butyl-1-piperidinyl)propyl]-6,8-dichloro-7-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[3-(4-butylpiperidin-1-yl)propyl]-6,8-dichloro-7-methyl-4H-1,4-benzoxazin-3-one Traditional Name: 2-[3-(4-butylpiperidino)propyl]-6,8-dichloro-7-methyl-4H-1,4-benzoxazin-3-one Formula: C21H30Cl2N2O2 MolecularWeight: 413.3811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCN(CC1)CCCC2C(=O)NC3=CC(=C(C(=C3O2)Cl)C)Cl

Isomeric SMILES

CCCCC1CCN(CC1)CCCC2C(=O)NC3=CC(=C(C(=C3O2)Cl)C)Cl

InChI

InChI=1S/C21H30Cl2N2O2/c1-3-4-6-15-8-11-25(12-9-15)10-5-7-18-21(26)24-17-13-16(22)14(2)19(23)20(17)27-18/h13,15,18H,3-12H2,1-2H3,(H,24,26)