N-[3-[[(2S)-butan-2-yl]amino]-3-oxidanylidene-propyl]-5-methyl-N-phenethyl-pyrazine-2-carboxamide

Systemtic Name: N-[3-[[(2S)-butan-2-yl]amino]-3-oxidanylidene-propyl]-5-methyl-N-phenethyl-pyrazine-2-carboxamide Openeye Name: 5-methyl-N-[3-[[(1S)-1-methylpropyl]amino]-3-oxo-propyl]-N-phenethyl-pyrazine-2-carboxamide CAS Name: N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-5-methyl-N-phenethyl-2-pyrazinecarboxamide IUPAC Name: N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-5-methyl-N-phenethylpyrazine-2-carboxamide Traditional Name: N-[3-keto-3-[[(1S)-1-methylpropyl]amino]propyl]-5-methyl-N-phenethyl-pyrazinamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCN(CCC1=CC=CC=C1)C(=O)C2=CN=C(C=N2)C

Isomeric SMILES

CC[C@H](C)NC(=O)CCN(CCC1=CC=CC=C1)C(=O)C2=CN=C(C=N2)C

InChI

InChI=1S/C21H28N4O2/c1-4-16(2)24-20(26)11-13-25(12-10-18-8-6-5-7-9-18)21(27)19-15-22-17(3)14-23-19/h5-9,14-16H,4,10-13H2,1-3H3,(H,24,26)/t16-/m0/s1