4-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde

Systemtic Name: 4-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: 4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: 4-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: 4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: 3-keto-4-[4-(4-methylpiperazine-1-carbonyl)benzyl]-1,4-benzoxazine-6-carbaldehyde Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)COC4=C3C=C(C=C4)C=O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)COC4=C3C=C(C=C4)C=O

InChI

InChI=1S/C22H23N3O4/c1-23-8-10-24(11-9-23)22(28)18-5-2-16(3-6-18)13-25-19-12-17(14-26)4-7-20(19)29-15-21(25)27/h2-7,12,14H,8-11,13,15H2,1H3