N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-fluoro-benzamide CAS Name: N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-fluorobenzamide Traditional Name: N-[2-[4-(4-cyanobenzoyl)piperazino]-5-(piperazine-1-carbonyl)phenyl]-4-fluoro-benzamide Formula: C30H29FN6O3 MolecularWeight: 540.588063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H29FN6O3/c31-25-8-5-22(6-9-25)28(38)34-26-19-24(30(40)36-13-11-33-12-14-36)7-10-27(26)35-15-17-37(18-16-35)29(39)23-3-1-21(20-32)2-4-23/h1-10,19,33H,11-18H2,(H,34,38)