4-[(3-methyl-5-pyrazin-2-yl-phenyl)methyl]-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde

Systemtic Name: 4-[(3-methyl-5-pyrazin-2-yl-phenyl)methyl]-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: 4-[(3-methyl-5-pyrazin-2-yl-phenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: 4-[[3-methyl-5-(2-pyrazinyl)phenyl]methyl]-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: 4-[(3-methyl-5-pyrazin-2-ylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: 3-keto-4-(3-methyl-5-pyrazin-2-yl-benzyl)-1,4-benzoxazine-6-carbaldehyde Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NC=CN=C2)CN3C(=O)COC4=C3C=C(C=C4)C=O

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NC=CN=C2)CN3C(=O)COC4=C3C=C(C=C4)C=O

InChI

InChI=1S/C21H17N3O3/c1-14-6-16(8-17(7-14)18-10-22-4-5-23-18)11-24-19-9-15(12-25)2-3-20(19)27-13-21(24)26/h2-10,12H,11,13H2,1H3