N-[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-3-pyrrolidin-1-ylcarbonyl-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-3-pyrrolidin-1-ylcarbonyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[4-(2-fluorobenzoyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]-piperonylamide Formula: C30H29FN4O5 MolecularWeight: 544.573463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCN(CC5)C(=O)C6=CC=CC=C6F

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCN(CC5)C(=O)C6=CC=CC=C6F

InChI

InChI=1S/C30H29FN4O5/c31-24-6-2-1-5-22(24)29(37)35-15-13-33(14-16-35)25-9-8-21(18-23(25)30(38)34-11-3-4-12-34)32-28(36)20-7-10-26-27(17-20)40-19-39-26/h1-2,5-10,17-18H,3-4,11-16,19H2,(H,32,36)