2-azanyl-3-chloranyl-5-[2-[5-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]pentylamino]-1-oxidanyl-ethyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-chloranyl-5-[2-[5-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]pentylamino]-1-oxidanyl-ethyl]benzenecarbonitrile Openeye Name: 2-amino-3-chloro-5-[2-[5-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]pentylamino]-1-hydroxy-ethyl]benzonitrile CAS Name: 2-amino-3-chloro-5-[2-[5-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]pentylamino]-1-hydroxyethyl]benzonitrile IUPAC Name: 2-amino-3-chloro-5-[2-[5-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]pentylamino]-1-hydroxyethyl]benzonitrile Traditional Name: 2-amino-3-chloro-5-[2-[5-[4-(3,4-dimethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]pentylamino]-1-hydroxy-ethyl]benzonitrile Formula: C30H36ClN5O4 MolecularWeight: 566.09094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCCNCC(C4=CC(=C(C(=C4)C#N)N)Cl)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCCNCC(C4=CC(=C(C(=C4)C#N)N)Cl)O)OC

InChI

InChI=1S/C30H36ClN5O4/c1-39-26-11-10-19(16-27(26)40-2)29-22-8-4-5-9-23(22)30(38)36(35-29)13-7-3-6-12-34-18-25(37)20-14-21(17-32)28(33)24(31)15-20/h4-5,10-11,14-16,22-23,25,34,37H,3,6-9,12-13,18,33H2,1-2H3