4-[(2-fluorophenyl)methyl]-6-methoxy-8-piperazin-1-yl-1,4-benzoxazin-3-one hydrochloride

Systemtic Name: 4-[(2-fluorophenyl)methyl]-6-methoxy-8-piperazin-1-yl-1,4-benzoxazin-3-one hydrochloride Openeye Name: 4-[(2-fluorophenyl)methyl]-6-methoxy-8-piperazin-1-yl-1,4-benzoxazin-3-one hydrochloride CAS Name: 4-[(2-fluorophenyl)methyl]-6-methoxy-8-(1-piperazinyl)-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 4-[(2-fluorophenyl)methyl]-6-methoxy-8-piperazin-1-yl-1,4-benzoxazin-3-one hydrochloride Traditional Name: 4-(2-fluorobenzyl)-6-methoxy-8-piperazino-1,4-benzoxazin-3-one hydrochloride Formula: C20H23ClFN3O3 MolecularWeight: 407.866323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)N(C(=O)CO2)CC3=CC=CC=C3F)N4CCNCC4.Cl

Isomeric SMILES

COC1=CC(=C2C(=C1)N(C(=O)CO2)CC3=CC=CC=C3F)N4CCNCC4.Cl

InChI

InChI=1S/C20H22FN3O3.ClH/c1-26-15-10-17(23-8-6-22-7-9-23)20-18(11-15)24(19(25)13-27-20)12-14-4-2-3-5-16(14)21;/h2-5,10-11,22H,6-9,12-13H2,1H3;1H