N-hexyl-5-methyl-N-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]pyrazine-2-carboxamide

Systemtic Name: N-hexyl-5-methyl-N-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]pyrazine-2-carboxamide Openeye Name: N-[3-(benzylamino)-3-oxo-propyl]-N-hexyl-5-methyl-pyrazine-2-carboxamide CAS Name: N-hexyl-5-methyl-N-[3-oxo-3-[(phenylmethyl)amino]propyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(benzylamino)-3-oxopropyl]-N-hexyl-5-methylpyrazine-2-carboxamide Traditional Name: N-[3-(benzylamino)-3-keto-propyl]-N-hexyl-5-methyl-pyrazinamide Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCC(=O)NCC1=CC=CC=C1)C(=O)C2=CN=C(C=N2)C

Isomeric SMILES

CCCCCCN(CCC(=O)NCC1=CC=CC=C1)C(=O)C2=CN=C(C=N2)C

InChI

InChI=1S/C22H30N4O2/c1-3-4-5-9-13-26(22(28)20-17-23-18(2)15-24-20)14-12-21(27)25-16-19-10-7-6-8-11-19/h6-8,10-11,15,17H,3-5,9,12-14,16H2,1-2H3,(H,25,27)