6-[5-[2-(3-methoxyphenyl)ethyl-methyl-amino]pentanoyl]-4H-1,4-benzoxazin-3-one hydrochloride

Systemtic Name: 6-[5-[2-(3-methoxyphenyl)ethyl-methyl-amino]pentanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Openeye Name: 6-[5-[2-(3-methoxyphenyl)ethyl-methyl-amino]pentanoyl]-4H-1,4-benzoxazin-3-one hydrochloride CAS Name: 6-[5-[2-(3-methoxyphenyl)ethyl-methylamino]-1-oxopentyl]-4H-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 6-[5-[2-(3-methoxyphenyl)ethyl-methylamino]pentanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Traditional Name: 6-[5-[2-(3-methoxyphenyl)ethyl-methyl-amino]pentanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Formula: C23H29ClN2O4 MolecularWeight: 432.94036

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)CCC3=CC(=CC=C3)OC.Cl

Isomeric SMILES

CN(CCCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)CCC3=CC(=CC=C3)OC.Cl

InChI

InChI=1S/C23H28N2O4.ClH/c1-25(13-11-17-6-5-7-19(14-17)28-2)12-4-3-8-21(26)18-9-10-22-20(15-18)24-23(27)16-29-22;/h5-7,9-10,14-15H,3-4,8,11-13,16H2,1-2H3,(H,24,27);1H