2-[6-chloranyl-3-(diphenylmethylidene)-1,4-benzoxazin-4-yl]-2-methyl-propanenitrile

Systemtic Name: 2-[6-chloranyl-3-(diphenylmethylidene)-1,4-benzoxazin-4-yl]-2-methyl-propanenitrile Openeye Name: 2-(3-benzhydrylidene-6-chloro-1,4-benzoxazin-4-yl)-2-methyl-propanenitrile CAS Name: 2-[6-chloro-3-(diphenylmethylene)-1,4-benzoxazin-4-yl]-2-methylpropanenitrile IUPAC Name: 2-(3-benzhydrylidene-6-chloro-1,4-benzoxazin-4-yl)-2-methylpropanenitrile Traditional Name: 2-(3-benzhydrylidene-6-chloro-1,4-benzoxazin-4-yl)-2-methyl-propionitrile Formula: C25H21ClN2O MolecularWeight: 400.90004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N1C(=C(C2=CC=CC=C2)C3=CC=CC=C3)COC4=C1C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C#N)N1C(=C(C2=CC=CC=C2)C3=CC=CC=C3)COC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN2O/c1-25(2,17-27)28-21-15-20(26)13-14-23(21)29-16-22(28)24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15H,16H2,1-2H3