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

Systemtic Name: 2-azanyl-3-chloranyl-5-[2-[2-[3-[4-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidin-1-yl]-3-oxidanylidene-propyl]sulfonylethylamino]-1-oxidanyl-ethyl]benzenecarbonitrile Openeye Name: 2-amino-3-chloro-5-[2-[2-[3-[4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-1-piperidyl]-3-oxo-propyl]sulfonylethylamino]-1-hydroxy-ethyl]benzonitrile CAS Name: 2-amino-3-chloro-5-[2-[2-[3-[4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-1-piperidinyl]-3-oxopropyl]sulfonylethylamino]-1-hydroxyethyl]benzonitrile IUPAC Name: 2-amino-3-chloro-5-[2-[2-[3-[4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidin-1-yl]-3-oxopropyl]sulfonylethylamino]-1-hydroxyethyl]benzonitrile Traditional Name: 2-amino-3-chloro-5-[2-[2-[3-[4-[4-(3,4-dimethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidino]-3-keto-propyl]sulfonylethylamino]-1-hydroxy-ethyl]benzonitrile Formula: C35H43ClN6O7S MolecularWeight: 727.26992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)C(=O)CCS(=O)(=O)CCNCC(C5=CC(=C(C(=C5)C#N)N)Cl)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)C(=O)CCS(=O)(=O)CCNCC(C5=CC(=C(C(=C5)C#N)N)Cl)O)OC

InChI

InChI=1S/C35H43ClN6O7S/c1-48-30-8-7-22(19-31(30)49-2)34-26-5-3-4-6-27(26)35(45)42(40-34)25-9-13-41(14-10-25)32(44)11-15-50(46,47)16-12-39-21-29(43)23-17-24(20-37)33(38)28(36)18-23/h3-4,7-8,17-19,25-27,29,39,43H,5-6,9-16,21,38H2,1-2H3