(2S)-4-(1-methylpyrrol-2-yl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-pyrazin-2-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: (2S)-4-(1-methylpyrrol-2-yl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-pyrazin-2-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-4-(1-methylpyrrole-2-carbonyl)-N-[(3S)-2-oxo-3-piperidyl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-4-[(1-methyl-2-pyrrolyl)-oxomethyl]-N-[(3S)-2-oxo-3-piperidinyl]-1-[oxo(2-pyrazinyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-(1-methylpyrrole-2-carbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(3S)-2-keto-3-piperidyl]-4-(1-methylpyrrole-2-carbonyl)-1-pyrazinoyl-piperazine-2-carboxamide Formula: C21H25N7O4 MolecularWeight: 439.4677

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCN(C(C2)C(=O)NC3CCCNC3=O)C(=O)C4=NC=CN=C4

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCN([C@@H](C2)C(=O)N[C@H]3CCCNC3=O)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C21H25N7O4/c1-26-9-3-5-16(26)21(32)27-10-11-28(20(31)15-12-22-7-8-23-15)17(13-27)19(30)25-14-4-2-6-24-18(14)29/h3,5,7-9,12,14,17H,2,4,6,10-11,13H2,1H3,(H,24,29)(H,25,30)/t14-,17-/m0/s1