4-[4-(1,3-benzodioxol-5-ylcarbonylamino)-2-pyrrolidin-1-ylcarbonyl-phenyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylcarbonylamino)-2-pyrrolidin-1-ylcarbonyl-phenyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[4-(1,3-benzodioxole-5-carbonylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-2-[oxo(1-pyrrolidinyl)methyl]phenyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[4-(1,3-benzodioxole-5-carbonylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-phenylpiperazine-1-carboxamide Traditional Name: N-phenyl-4-[4-(piperonyloylamino)-2-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide Formula: C30H31N5O5 MolecularWeight: 541.59764

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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)NC6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCN(CC5)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C30H31N5O5/c36-28(21-8-11-26-27(18-21)40-20-39-26)31-23-9-10-25(24(19-23)29(37)34-12-4-5-13-34)33-14-16-35(17-15-33)30(38)32-22-6-2-1-3-7-22/h1-3,6-11,18-19H,4-5,12-17,20H2,(H,31,36)(H,32,38)