6-ethanoyl-4-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-ethanoyl-4-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]-1,4-benzoxazin-3-one Openeye Name: 6-acetyl-4-[4-(4-benzylpiperazin-1-yl)-4-oxo-butyl]-1,4-benzoxazin-3-one CAS Name: 6-acetyl-4-[4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butyl]-1,4-benzoxazin-3-one IUPAC Name: 6-acetyl-4-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-1,4-benzoxazin-3-one Traditional Name: 6-acetyl-4-[4-(4-benzylpiperazino)-4-keto-butyl]-1,4-benzoxazin-3-one Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4/c1-19(29)21-9-10-23-22(16-21)28(25(31)18-32-23)11-5-8-24(30)27-14-12-26(13-15-27)17-20-6-3-2-4-7-20/h2-4,6-7,9-10,16H,5,8,11-15,17-18H2,1H3