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

Systemtic Name: 4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: 4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: 4-[[4-[(4-methyl-1-piperazinyl)methyl]phenyl]methyl]-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: 4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: 3-keto-4-[4-[(4-methylpiperazino)methyl]benzyl]-1,4-benzoxazine-6-carbaldehyde Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)CN3C(=O)COC4=C3C=C(C=C4)C=O

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)CN3C(=O)COC4=C3C=C(C=C4)C=O

InChI

InChI=1S/C22H25N3O3/c1-23-8-10-24(11-9-23)13-17-2-4-18(5-3-17)14-25-20-12-19(15-26)6-7-21(20)28-16-22(25)27/h2-7,12,15H,8-11,13-14,16H2,1H3