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

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-N-(2-methylpropyl)pyrazine-2-carboxamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-N-isobutyl-pyrazine-2-carboxamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-N-(2-methylpropyl)-2-pyrazinecarboxamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide Traditional Name: N-isobutyl-N-[3-keto-3-(4-piperonylpiperazino)propyl]pyrazinamide Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O4/c1-18(2)15-29(24(31)20-14-25-6-7-26-20)8-5-23(30)28-11-9-27(10-12-28)16-19-3-4-21-22(13-19)33-17-32-21/h3-4,6-7,13-14,18H,5,8-12,15-17H2,1-2H3