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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O4/c1-2-3-9-29(24(31)20-16-25-7-8-26-20)10-6-23(30)28-13-11-27(12-14-28)17-19-4-5-21-22(15-19)33-18-32-21/h4-5,7-8,15-16H,2-3,6,9-14,17-18H2,1H3