3-[5-methyl-3-[[7-(2-methylphenyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 3-[5-methyl-3-[[7-(2-methylphenyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]pyrazol-1-yl]benzenecarbonitrile Openeye Name: 3-[5-methyl-3-[[7-(o-tolyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]pyrazol-1-yl]benzonitrile CAS Name: 3-[5-methyl-3-[[7-(2-methylphenyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-1-pyrazolyl]benzonitrile IUPAC Name: 3-[5-methyl-3-[[7-(2-methylphenyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]pyrazol-1-yl]benzonitrile Traditional Name: 3-[3-[[3-keto-7-(o-tolyl)-1,4-benzoxazin-4-yl]methyl]-5-methyl-pyrazol-1-yl]benzonitrile Formula: C27H22N4O2 MolecularWeight: 434.48918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C=C2)N(C(=O)CO3)CC4=NN(C(=C4)C)C5=CC=CC(=C5)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C=C2)N(C(=O)CO3)CC4=NN(C(=C4)C)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C27H22N4O2/c1-18-6-3-4-9-24(18)21-10-11-25-26(14-21)33-17-27(32)30(25)16-22-12-19(2)31(29-22)23-8-5-7-20(13-23)15-28/h3-14H,16-17H2,1-2H3