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

Systemtic Name: 4-[(3-chlorophenyl)methyl]-6-methoxy-8-piperazin-1-yl-1,4-benzoxazin-3-one hydrochloride Openeye Name: 4-[(3-chlorophenyl)methyl]-6-methoxy-8-piperazin-1-yl-1,4-benzoxazin-3-one hydrochloride CAS Name: 4-[(3-chlorophenyl)methyl]-6-methoxy-8-(1-piperazinyl)-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 4-[(3-chlorophenyl)methyl]-6-methoxy-8-piperazin-1-yl-1,4-benzoxazin-3-one hydrochloride Traditional Name: 4-(3-chlorobenzyl)-6-methoxy-8-piperazino-1,4-benzoxazin-3-one hydrochloride Formula: C20H23Cl2N3O3 MolecularWeight: 424.32092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)N(C(=O)CO2)CC3=CC(=CC=C3)Cl)N4CCNCC4.Cl

Isomeric SMILES

COC1=CC(=C2C(=C1)N(C(=O)CO2)CC3=CC(=CC=C3)Cl)N4CCNCC4.Cl

InChI

InChI=1S/C20H22ClN3O3.ClH/c1-26-16-10-17(23-7-5-22-6-8-23)20-18(11-16)24(19(25)13-27-20)12-14-3-2-4-15(21)9-14;/h2-4,9-11,22H,5-8,12-13H2,1H3;1H