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

Systemtic Name: N-[2-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-2-phenyl-ethanamide Openeye Name: N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-phenyl-acetamide CAS Name: N-[2-[4-[(3-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-2-phenylacetamide IUPAC Name: N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-phenylacetamide Traditional Name: N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-phenyl-acetamide Formula: C31H34FN5O3 MolecularWeight: 543.631763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)F)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)F)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H34FN5O3/c32-26-9-4-8-24(21-26)30(39)36-15-5-14-35(18-19-36)28-11-10-25(31(40)37-16-12-33-13-17-37)22-27(28)34-29(38)20-23-6-2-1-3-7-23/h1-4,6-11,21-22,33H,5,12-20H2,(H,34,38)