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

Systemtic Name: 4-tert-butyl-N-[2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: 4-tert-butyl-N-[2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C34H40FN5O3 MolecularWeight: 585.711503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C34H40FN5O3/c1-34(2,3)27-10-5-24(6-11-27)31(41)37-29-23-26(33(43)40-19-15-36-16-20-40)9-14-30(29)38-17-4-18-39(22-21-38)32(42)25-7-12-28(35)13-8-25/h5-14,23,36H,4,15-22H2,1-3H3,(H,37,41)