4-azanyl-7-[(E)-2-[4-(4-ethanoylpiperazin-1-yl)carbonylphenyl]ethenyl]-5-(2-phenylethynyl)isoindole-1,3-dione

Systemtic Name: 4-azanyl-7-[(E)-2-[4-(4-ethanoylpiperazin-1-yl)carbonylphenyl]ethenyl]-5-(2-phenylethynyl)isoindole-1,3-dione Openeye Name: 7-[(E)-2-[4-(4-acetylpiperazine-1-carbonyl)phenyl]vinyl]-4-amino-5-(2-phenylethynyl)isoindoline-1,3-dione CAS Name: 7-[(E)-2-[4-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]ethenyl]-4-amino-5-(2-phenylethynyl)isoindole-1,3-dione IUPAC Name: 7-[(E)-2-[4-(4-acetylpiperazine-1-carbonyl)phenyl]ethenyl]-4-amino-5-(2-phenylethynyl)isoindole-1,3-dione Traditional Name: 7-[(E)-2-[4-(4-acetylpiperazine-1-carbonyl)phenyl]vinyl]-4-amino-5-(2-phenylethynyl)isoindoline-1,3-quinone Formula: C31H26N4O4 MolecularWeight: 518.56254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C=CC3=C4C(=C(C(=C3)C#CC5=CC=CC=C5)N)C(=O)NC4=O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)/C=C/C3=C4C(=C(C(=C3)C#CC5=CC=CC=C5)N)C(=O)NC4=O

InChI

InChI=1S/C31H26N4O4/c1-20(36)34-15-17-35(18-16-34)31(39)23-11-7-22(8-12-23)9-13-24-19-25(14-10-21-5-3-2-4-6-21)28(32)27-26(24)29(37)33-30(27)38/h2-9,11-13,19H,15-18,32H2,1H3,(H,33,37,38)/b13-9+