2-azanyl-5-[2-[6-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,6,7,8,8a-hexahydrophthalazin-2-yl]hexylamino]-1-oxidanyl-ethyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-5-[2-[6-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,6,7,8,8a-hexahydrophthalazin-2-yl]hexylamino]-1-oxidanyl-ethyl]benzenecarbonitrile Openeye Name: 2-amino-5-[2-[6-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,6,7,8,8a-hexahydrophthalazin-2-yl]hexylamino]-1-hydroxy-ethyl]benzonitrile CAS Name: 2-amino-5-[2-[6-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,6,7,8,8a-hexahydrophthalazin-2-yl]hexylamino]-1-hydroxyethyl]benzonitrile IUPAC Name: 2-amino-5-[2-[6-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,6,7,8,8a-hexahydrophthalazin-2-yl]hexylamino]-1-hydroxyethyl]benzonitrile Traditional Name: 2-amino-5-[2-[6-[4-(3,4-dimethoxyphenyl)-1-keto-4a,5,6,7,8,8a-hexahydrophthalazin-2-yl]hexylamino]-1-hydroxy-ethyl]benzonitrile Formula: C31H41N5O4 MolecularWeight: 547.68834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CCCC3)CCCCCCNCC(C4=CC(=C(C=C4)N)C#N)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CCCC3)CCCCCCNCC(C4=CC(=C(C=C4)N)C#N)O)OC

InChI

InChI=1S/C31H41N5O4/c1-39-28-14-12-22(18-29(28)40-2)30-24-9-5-6-10-25(24)31(38)36(35-30)16-8-4-3-7-15-34-20-27(37)21-11-13-26(33)23(17-21)19-32/h11-14,17-18,24-25,27,34,37H,3-10,15-16,20,33H2,1-2H3