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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylcarbonylamino)-2-pyrrolidin-1-ylcarbonyl-phenyl]-N-(3-chlorophenyl)piperazine-1-carboxamide Openeye Name: 4-[4-(1,3-benzodioxole-5-carbonylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-(3-chlorophenyl)piperazine-1-carboxamide CAS Name: 4-[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-2-[oxo(1-pyrrolidinyl)methyl]phenyl]-N-(3-chlorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[4-(1,3-benzodioxole-5-carbonylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-(3-chlorophenyl)piperazine-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[4-(piperonyloylamino)-2-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide Formula: C30H30ClN5O5 MolecularWeight: 576.0427

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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)Cl

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)Cl

InChI

InChI=1S/C30H30ClN5O5/c31-21-4-3-5-22(17-21)33-30(39)36-14-12-34(13-15-36)25-8-7-23(18-24(25)29(38)35-10-1-2-11-35)32-28(37)20-6-9-26-27(16-20)41-19-40-26/h3-9,16-18H,1-2,10-15,19H2,(H,32,37)(H,33,39)