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

Systemtic Name: (2S)-4-(4-cyanophenyl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-pyrazin-2-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-4-(4-cyanobenzoyl)-N-[(3S)-2-oxo-3-piperidyl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-4-[(4-cyanophenyl)-oxomethyl]-N-[(3S)-2-oxo-3-piperidinyl]-1-[oxo(2-pyrazinyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-(4-cyanobenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-4-(4-cyanobenzoyl)-N-[(3S)-2-keto-3-piperidyl]-1-pyrazinoyl-piperazine-2-carboxamide Formula: C23H23N7O4 MolecularWeight: 461.47322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)NC(=O)C2CN(CCN2C(=O)C3=NC=CN=C3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[C@@H](C(=O)NC1)NC(=O)[C@@H]2CN(CCN2C(=O)C3=NC=CN=C3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H23N7O4/c24-12-15-3-5-16(6-4-15)22(33)29-10-11-30(23(34)18-13-25-8-9-26-18)19(14-29)21(32)28-17-2-1-7-27-20(17)31/h3-6,8-9,13,17,19H,1-2,7,10-11,14H2,(H,27,31)(H,28,32)/t17-,19-/m0/s1