4-(1,3-benzodioxol-5-ylcarbonyl)-N-phenethyl-piperazine-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-N-phenethyl-piperazine-1-carboxamide Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-N-phenethyl-piperazine-1-carboxamide CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-N-phenethyl-1-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-N-phenethylpiperazine-1-carboxamide Traditional Name: N-phenethyl-4-piperonyloyl-piperazine-1-carboxamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4/c25-20(17-6-7-18-19(14-17)28-15-27-18)23-10-12-24(13-11-23)21(26)22-9-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,22,26)