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

Systemtic Name: N-[4-[4-(2-phenylbutanoyl)piperazin-1-yl]-3-pyrrolidin-1-ylcarbonyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-(2-phenylbutanoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-(1-oxo-2-phenylbutyl)-1-piperazinyl]-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-(2-phenylbutanoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[4-(2-phenylbutanoyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]-piperonylamide Formula: C33H36N4O5 MolecularWeight: 568.66274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N6CCCC6

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N6CCCC6

InChI

InChI=1S/C33H36N4O5/c1-2-26(23-8-4-3-5-9-23)32(39)37-18-16-35(17-19-37)28-12-11-25(21-27(28)33(40)36-14-6-7-15-36)34-31(38)24-10-13-29-30(20-24)42-22-41-29/h3-5,8-13,20-21,26H,2,6-7,14-19,22H2,1H3,(H,34,38)