N-[2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: N-[2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C30H32FN5O3 MolecularWeight: 529.605183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H32FN5O3/c31-25-10-7-23(8-11-25)29(38)35-16-4-15-34(19-20-35)27-12-9-24(30(39)36-17-13-32-14-18-36)21-26(27)33-28(37)22-5-2-1-3-6-22/h1-3,5-12,21,32H,4,13-20H2,(H,33,37)