N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-N-(2-piperidin-1-ylethyl)pyrazine-2-carboxamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-N-(2-piperidin-1-ylethyl)pyrazine-2-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]-N-[2-(1-piperidyl)ethyl]pyrazine-2-carboxamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-[2-(1-piperidinyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-(2-piperidin-1-ylethyl)pyrazine-2-carboxamide Traditional Name: N-[3-keto-3-(piperonylamino)propyl]-N-(2-piperidinoethyl)pyrazinamide Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN(CCC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=NC=CN=C4

Isomeric SMILES

C1CCN(CC1)CCN(CCC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C23H29N5O4/c29-22(26-15-18-4-5-20-21(14-18)32-17-31-20)6-11-28(13-12-27-9-2-1-3-10-27)23(30)19-16-24-7-8-25-19/h4-5,7-8,14,16H,1-3,6,9-13,15,17H2,(H,26,29)