3-[[2-(3-carbamimidoylphenyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[2-(3-carbamimidoylphenyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-N,N-dimethyl-benzamide Openeye Name: 3-[[2-(3-carbamimidoylphenyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-N,N-dimethyl-benzamide CAS Name: 3-[[2-(3-carbamimidoylphenyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-N,N-dimethylbenzamide IUPAC Name: 3-[[2-(3-carbamimidoylphenyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-N,N-dimethylbenzamide Traditional Name: 3-[[2-(3-amidinophenyl)-3-keto-1,4-benzoxazin-4-yl]methyl]-N,N-dimethyl-benzamide Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)CN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)CN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C25H24N4O3/c1-28(2)24(30)19-10-5-7-16(13-19)15-29-20-11-3-4-12-21(20)32-22(25(29)31)17-8-6-9-18(14-17)23(26)27/h3-14,22H,15H2,1-2H3,(H3,26,27)