N-[[5-methyl-4-oxidanylidene-2-(1-phenylethylamino)-3,1-benzoxazin-6-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamide

Systemtic Name: N-[[5-methyl-4-oxidanylidene-2-(1-phenylethylamino)-3,1-benzoxazin-6-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamide Openeye Name: N-[[5-methyl-4-oxo-2-(1-phenylethylamino)-3,1-benzoxazin-6-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide CAS Name: N-[[5-methyl-4-oxo-2-(1-phenylethylamino)-3,1-benzoxazin-6-yl]methyl]-2-(4-methyl-1-piperazinyl)acetamide IUPAC Name: N-[[5-methyl-4-oxo-2-(1-phenylethylamino)-3,1-benzoxazin-6-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide Traditional Name: N-[[4-keto-5-methyl-2-(1-phenylethylamino)-3,1-benzoxazin-6-yl]methyl]-2-(4-methylpiperazino)acetamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)C3=CC=CC=C3)CNC(=O)CN4CCN(CC4)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)C3=CC=CC=C3)CNC(=O)CN4CCN(CC4)C

InChI

InChI=1S/C25H31N5O3/c1-17-20(15-26-22(31)16-30-13-11-29(3)12-14-30)9-10-21-23(17)24(32)33-25(28-21)27-18(2)19-7-5-4-6-8-19/h4-10,18H,11-16H2,1-3H3,(H,26,31)(H,27,28)