3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 3-[2-(homopiperonylamino)-2-keto-ethyl]-N-phenyl-piperazine-1-carboxamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O4/c27-21(24-9-8-16-6-7-19-20(12-16)30-15-29-19)13-18-14-26(11-10-23-18)22(28)25-17-4-2-1-3-5-17/h1-7,12,18,23H,8-11,13-15H2,(H,24,27)(H,25,28)