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

Systemtic Name: 6-[5-[2-(3-methoxyphenyl)ethylamino]pentanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Openeye Name: 6-[5-[2-(3-methoxyphenyl)ethylamino]pentanoyl]-4H-1,4-benzoxazin-3-one hydrochloride CAS Name: 6-[5-[2-(3-methoxyphenyl)ethylamino]-1-oxopentyl]-4H-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 6-[5-[2-(3-methoxyphenyl)ethylamino]pentanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Traditional Name: 6-[5-[2-(3-methoxyphenyl)ethylamino]pentanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCNCCCCC(=O)C2=CC3=C(C=C2)OCC(=O)N3.Cl

Isomeric SMILES

COC1=CC=CC(=C1)CCNCCCCC(=O)C2=CC3=C(C=C2)OCC(=O)N3.Cl

InChI

InChI=1S/C22H26N2O4.ClH/c1-27-18-6-4-5-16(13-18)10-12-23-11-3-2-7-20(25)17-8-9-21-19(14-17)24-22(26)15-28-21;/h4-6,8-9,13-14,23H,2-3,7,10-12,15H2,1H3,(H,24,26);1H