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

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-N-(3-ethoxypropyl)-2-pyrazinecarboxamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide Traditional Name: N-(3-ethoxypropyl)-N-[3-keto-3-(4-piperonylpiperazino)propyl]pyrazinamide Formula: C25H33N5O5 MolecularWeight: 483.56002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O5/c1-2-33-15-3-9-30(25(32)21-17-26-7-8-27-21)10-6-24(31)29-13-11-28(12-14-29)18-20-4-5-22-23(16-20)35-19-34-22/h4-5,7-8,16-17H,2-3,6,9-15,18-19H2,1H3