N-[3-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-propyl]-N-pentyl-pyrazine-2-carboxamide

Systemtic Name: N-[3-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-propyl]-N-pentyl-pyrazine-2-carboxamide Openeye Name: N-[3-(3,4-dimethylanilino)-3-oxo-propyl]-N-pentyl-pyrazine-2-carboxamide CAS Name: N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-pentyl-2-pyrazinecarboxamide IUPAC Name: N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide Traditional Name: N-amyl-N-[3-(3,4-dimethylanilino)-3-keto-propyl]pyrazinamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCC(=O)NC1=CC(=C(C=C1)C)C)C(=O)C2=NC=CN=C2

Isomeric SMILES

CCCCCN(CCC(=O)NC1=CC(=C(C=C1)C)C)C(=O)C2=NC=CN=C2

InChI

InChI=1S/C21H28N4O2/c1-4-5-6-12-25(21(27)19-15-22-10-11-23-19)13-9-20(26)24-18-8-7-16(2)17(3)14-18/h7-8,10-11,14-15H,4-6,9,12-13H2,1-3H3,(H,24,26)