N-butyl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]pyrazine-2-carboxamide

Systemtic Name: N-butyl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]pyrazine-2-carboxamide Openeye Name: N-butyl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxo-propyl]pyrazine-2-carboxamide CAS Name: N-butyl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-2-pyrazinecarboxamide IUPAC Name: N-butyl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]pyrazine-2-carboxamide Traditional Name: N-butyl-N-[3-(homoveratrylamino)-3-keto-propyl]pyrazinamide Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC(=O)NCCC1=CC(=C(C=C1)OC)OC)C(=O)C2=NC=CN=C2

Isomeric SMILES

CCCCN(CCC(=O)NCCC1=CC(=C(C=C1)OC)OC)C(=O)C2=NC=CN=C2

InChI

InChI=1S/C22H30N4O4/c1-4-5-13-26(22(28)18-16-23-11-12-24-18)14-9-21(27)25-10-8-17-6-7-19(29-2)20(15-17)30-3/h6-7,11-12,15-16H,4-5,8-10,13-14H2,1-3H3,(H,25,27)