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

Systemtic Name: 6-tert-butyl-4-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]-1,4-benzoxazin-3-one Openeye Name: 4-[4-(4-benzylpiperazin-1-yl)-4-oxo-butyl]-6-tert-butyl-1,4-benzoxazin-3-one CAS Name: 6-tert-butyl-4-[4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-6-tert-butyl-1,4-benzoxazin-3-one Traditional Name: 4-[4-(4-benzylpiperazino)-4-keto-butyl]-6-tert-butyl-1,4-benzoxazin-3-one Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O3/c1-27(2,3)22-11-12-24-23(18-22)30(26(32)20-33-24)13-7-10-25(31)29-16-14-28(15-17-29)19-21-8-5-4-6-9-21/h4-6,8-9,11-12,18H,7,10,13-17,19-20H2,1-3H3