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

Systemtic Name: 5-methyl-N-[3-(3-methylbutylamino)-3-oxidanylidene-propyl]-N-(phenylmethyl)pyrazine-2-carboxamide Openeye Name: N-benzyl-N-[3-(isopentylamino)-3-oxo-propyl]-5-methyl-pyrazine-2-carboxamide CAS Name: 5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(phenylmethyl)-2-pyrazinecarboxamide IUPAC Name: N-benzyl-5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]pyrazine-2-carboxamide Traditional Name: N-benzyl-N-[3-(isoamylamino)-3-keto-propyl]-5-methyl-pyrazinamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N(CCC(=O)NCCC(C)C)CC2=CC=CC=C2

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N(CCC(=O)NCCC(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C21H28N4O2/c1-16(2)9-11-22-20(26)10-12-25(15-18-7-5-4-6-8-18)21(27)19-14-23-17(3)13-24-19/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,22,26)