3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2H-1,3-benzoxazin-4-one hydrate

Systemtic Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2H-1,3-benzoxazin-4-one hydrate Openeye Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2H-1,3-benzoxazin-4-one hydrate CAS Name: 3-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-2H-1,3-benzoxazin-4-one hydrate IUPAC Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2H-1,3-benzoxazin-4-one hydrate Traditional Name: 3-[3-[4-(2-methoxyphenyl)piperazino]propyl]-2H-1,3-benzoxazin-4-one hydrate Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCN3COC4=CC=CC=C4C3=O.O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCN3COC4=CC=CC=C4C3=O.O

InChI

InChI=1S/C22H27N3O3.H2O/c1-27-21-10-5-3-8-19(21)24-15-13-23(14-16-24)11-6-12-25-17-28-20-9-4-2-7-18(20)22(25)26;/h2-5,7-10H,6,11-17H2,1H3;1H2