N-[4-azanyl-3,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]-2-[(E)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethenyl]benzamide

Systemtic Name: N-[4-azanyl-3,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]-2-[(E)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethenyl]benzamide Openeye Name: N-(3-amino-1-benzyl-2,3-dioxo-propyl)-2-[(E)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]vinyl]benzamide CAS Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(4-phenyl-1-piperazinyl)methyl]phenyl]ethenyl]benzamide IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethenyl]benzamide Traditional Name: N-(3-amino-1-benzyl-2,3-diketo-propyl)-2-[(E)-2-[4-[(4-phenylpiperazino)methyl]phenyl]vinyl]benzamide Formula: C36H36N4O3 MolecularWeight: 572.69604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C=CC3=CC=CC=C3C(=O)NC(CC4=CC=CC=C4)C(=O)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)/C=C/C3=CC=CC=C3C(=O)NC(CC4=CC=CC=C4)C(=O)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C36H36N4O3/c37-35(42)34(41)33(25-28-9-3-1-4-10-28)38-36(43)32-14-8-7-11-30(32)20-19-27-15-17-29(18-16-27)26-39-21-23-40(24-22-39)31-12-5-2-6-13-31/h1-20,33H,21-26H2,(H2,37,42)(H,38,43)/b20-19+