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

Systemtic Name: 3-fluoranyl-N-[2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 3-fluoro-N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: 3-fluoro-N-[2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 3-fluoro-N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: 3-fluoro-N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C30H31F2N5O3 MolecularWeight: 547.595646

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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)F

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)F

InChI

InChI=1S/C30H31F2N5O3/c31-24-8-5-21(6-9-24)29(39)36-14-2-13-35(17-18-36)27-10-7-23(30(40)37-15-11-33-12-16-37)20-26(27)34-28(38)22-3-1-4-25(32)19-22/h1,3-10,19-20,33H,2,11-18H2,(H,34,38)