5-[(3S)-4-[1-(2-azanyl-6-chloranyl-pyridin-3-yl)carbonylpiperidin-4-yl]-3-ethyl-piperazin-1-yl]-4-methyl-3-oxidanylidene-pyrazine-2-carboxamide

Systemtic Name: 5-[(3S)-4-[1-(2-azanyl-6-chloranyl-pyridin-3-yl)carbonylpiperidin-4-yl]-3-ethyl-piperazin-1-yl]-4-methyl-3-oxidanylidene-pyrazine-2-carboxamide Openeye Name: 5-[(3S)-4-[1-(2-amino-6-chloro-pyridine-3-carbonyl)-4-piperidyl]-3-ethyl-piperazin-1-yl]-4-methyl-3-oxo-pyrazine-2-carboxamide CAS Name: 5-[(3S)-4-[1-[(2-amino-6-chloro-3-pyridinyl)-oxomethyl]-4-piperidinyl]-3-ethyl-1-piperazinyl]-4-methyl-3-oxo-2-pyrazinecarboxamide IUPAC Name: 5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-4-methyl-3-oxopyrazine-2-carboxamide Traditional Name: 5-[(3S)-4-[1-(2-amino-6-chloro-nicotinoyl)-4-piperidyl]-3-ethyl-piperazino]-3-keto-4-methyl-pyrazinamide Formula: C23H31ClN8O3 MolecularWeight: 502.99704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C2CCN(CC2)C(=O)C3=C(N=C(C=C3)Cl)N)C4=CN=C(C(=O)N4C)C(=O)N

Isomeric SMILES

CC[C@H]1CN(CCN1C2CCN(CC2)C(=O)C3=C(N=C(C=C3)Cl)N)C4=CN=C(C(=O)N4C)C(=O)N

InChI

InChI=1S/C23H31ClN8O3/c1-3-14-13-31(18-12-27-19(21(26)33)23(35)29(18)2)10-11-32(14)15-6-8-30(9-7-15)22(34)16-4-5-17(24)28-20(16)25/h4-5,12,14-15H,3,6-11,13H2,1-2H3,(H2,25,28)(H2,26,33)/t14-/m0/s1