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

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-N-(3-methylbutyl)pyrazine-2-carboxamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-N-isopentyl-pyrazine-2-carboxamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-N-(3-methylbutyl)-2-pyrazinecarboxamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide Traditional Name: N-isoamyl-N-[3-keto-3-(4-piperonylpiperazino)propyl]pyrazinamide Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O4/c1-19(2)5-9-30(25(32)21-16-26-7-8-27-21)10-6-24(31)29-13-11-28(12-14-29)17-20-3-4-22-23(15-20)34-18-33-22/h3-4,7-8,15-16,19H,5-6,9-14,17-18H2,1-2H3