4-[4-[5-(3-cycloheptyl-4-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenoxy]butoxy]benzenecarbonitrile

Systemtic Name: 4-[4-[5-(3-cycloheptyl-4-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenoxy]butoxy]benzenecarbonitrile Openeye Name: 4-[4-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenoxy]butoxy]benzonitrile CAS Name: 4-[4-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxyphenoxy]butoxy]benzonitrile IUPAC Name: 4-[4-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxyphenoxy]butoxy]benzonitrile Traditional Name: 4-[4-[5-(3-cycloheptyl-4-keto-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenoxy]butoxy]benzonitrile Formula: C33H39N3O4 MolecularWeight: 541.68046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCCCOC5=CC=C(C=C5)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCCCOC5=CC=C(C=C5)C#N

InChI

InChI=1S/C33H39N3O4/c1-38-30-19-16-25(22-31(30)40-21-9-8-20-39-27-17-14-24(23-34)15-18-27)32-28-12-6-7-13-29(28)33(37)36(35-32)26-10-4-2-3-5-11-26/h6-7,14-19,22,26,28-29H,2-5,8-13,20-21H2,1H3