2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]ethanamide

Systemtic Name: 2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]ethanamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]acetamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-2-(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)acetamide Formula: C28H38N4O3 MolecularWeight: 478.62632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H38N4O3/c1-28(2,3)23-10-11-25-24(18-23)32(27(34)21-35-25)20-26(33)29-12-7-13-30-14-16-31(17-15-30)19-22-8-5-4-6-9-22/h4-6,8-11,18H,7,12-17,19-21H2,1-3H3,(H,29,33)