4-[(2E)-2-[3-methyl-5-oxidanylidene-1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]-4,4-dipyridin-4-yl-imidazolidin-2-ylidene]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[(2E)-2-[3-methyl-5-oxidanylidene-1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]-4,4-dipyridin-4-yl-imidazolidin-2-ylidene]ethanoyl]benzenecarbonitrile Openeye Name: 4-[(2E)-2-[1-[3-(4-isopropylpiperazin-1-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-5-oxo-4,4-bis(4-pyridyl)imidazolidin-2-ylidene]acetyl]benzonitrile CAS Name: 4-[(2E)-2-[3-methyl-5-oxo-1-[3-[(4-propan-2-yl-1-piperazinyl)sulfonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-4,4-dipyridin-4-yl-2-imidazolidinylidene]-1-oxoethyl]benzonitrile IUPAC Name: 4-[(2E)-2-[3-methyl-5-oxo-1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]-4,4-dipyridin-4-ylimidazolidin-2-ylidene]acetyl]benzonitrile Traditional Name: 4-[(2E)-2-[1-[3-(4-isopropylpiperazino)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-keto-3-methyl-4,4-bis(4-pyridyl)imidazolidin-2-ylidene]acetyl]benzonitrile Formula: C35H38N8O4S MolecularWeight: 666.79242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)S(=O)(=O)N2CC3C(C2)C3N4C(=CC(=O)C5=CC=C(C=C5)C#N)N(C(C4=O)(C6=CC=NC=C6)C7=CC=NC=C7)C

Isomeric SMILES

CC(C)N1CCN(CC1)S(=O)(=O)N2CC3C(C2)C3N4/C(=C/C(=O)C5=CC=C(C=C5)C#N)/N(C(C4=O)(C6=CC=NC=C6)C7=CC=NC=C7)C

InChI

InChI=1S/C35H38N8O4S/c1-24(2)40-16-18-41(19-17-40)48(46,47)42-22-29-30(23-42)33(29)43-32(20-31(44)26-6-4-25(21-36)5-7-26)39(3)35(34(43)45,27-8-12-37-13-9-27)28-10-14-38-15-11-28/h4-15,20,24,29-30,33H,16-19,22-23H2,1-3H3/b32-20+