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

Systemtic Name: N-[2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxy-benzamide Formula: C32H36FN5O5 MolecularWeight: 589.657143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC=C(C=C5)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC=C(C=C5)F)OC

InChI

InChI=1S/C32H36FN5O5/c1-42-28-11-7-23(21-29(28)43-2)30(39)35-26-20-24(32(41)38-16-12-34-13-17-38)6-10-27(26)36-14-3-15-37(19-18-36)31(40)22-4-8-25(33)9-5-22/h4-11,20-21,34H,3,12-19H2,1-2H3,(H,35,39)