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

Systemtic Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyrrolidin-1-ylcarbonyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[4-(2-fluorobenzyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]-piperonylamide Formula: C30H31FN4O4 MolecularWeight: 530.589943

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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)CC6=CC=CC=C6F

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCN(CC5)CC6=CC=CC=C6F

InChI

InChI=1S/C30H31FN4O4/c31-25-6-2-1-5-22(25)19-33-13-15-34(16-14-33)26-9-8-23(18-24(26)30(37)35-11-3-4-12-35)32-29(36)21-7-10-27-28(17-21)39-20-38-27/h1-2,5-10,17-18H,3-4,11-16,19-20H2,(H,32,36)