N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-N-(2-methoxyethyl)pyrazine-2-carboxamide

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-N-(2-methoxyethyl)pyrazine-2-carboxamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-N-(2-methoxyethyl)pyrazine-2-carboxamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-N-(2-methoxyethyl)-2-pyrazinecarboxamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)pyrazine-2-carboxamide Traditional Name: N-[3-keto-3-(4-piperonylpiperazino)propyl]-N-(2-methoxyethyl)pyrazinamide Formula: C23H29N5O5 MolecularWeight: 455.50686

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C(=O)C4=NC=CN=C4

Isomeric SMILES

COCCN(CCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C23H29N5O5/c1-31-13-12-28(23(30)19-15-24-5-6-25-19)7-4-22(29)27-10-8-26(9-11-27)16-18-2-3-20-21(14-18)33-17-32-20/h2-3,5-6,14-15H,4,7-13,16-17H2,1H3