4-[2-[5-but-2-ynyl-3-(3-chlorophenyl)-2-oxidanylidene-imidazolidin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[5-but-2-ynyl-3-(3-chlorophenyl)-2-oxidanylidene-imidazolidin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-[5-but-2-ynyl-3-(3-chlorophenyl)-2-oxo-imidazolidin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile CAS Name: 4-[2-[5-but-2-ynyl-3-(3-chlorophenyl)-2-oxo-1-imidazolidinyl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile IUPAC Name: 4-[2-[5-but-2-ynyl-3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Traditional Name: 4-[2-[5-but-2-ynyl-3-(3-chlorophenyl)-2-keto-imidazolidin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Formula: C25H22ClN5O MolecularWeight: 443.92808

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1CN(C(=O)N1C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC#CCC1CN(C(=O)N1C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H22ClN5O/c1-2-3-6-22-16-30(21-7-4-5-20(26)13-21)25(32)31(22)24(23-15-28-17-29-23)12-18-8-10-19(14-27)11-9-18/h4-5,7-11,13,15,17,22,24H,6,12,16H2,1H3,(H,28,29)