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

Systemtic Name: N-[2-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclobutanecarboxamide Openeye Name: N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclobutanecarboxamide CAS Name: N-[2-[4-[(3-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]cyclobutanecarboxamide IUPAC Name: N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclobutanecarboxamide Traditional Name: N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclobutanecarboxamide Formula: C28H34FN5O3 MolecularWeight: 507.599663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC(=CC=C5)F

Isomeric SMILES

C1CC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C28H34FN5O3/c29-23-7-2-6-21(18-23)27(36)33-13-3-12-32(16-17-33)25-9-8-22(28(37)34-14-10-30-11-15-34)19-24(25)31-26(35)20-4-1-5-20/h2,6-9,18-20,30H,1,3-5,10-17H2,(H,31,35)