5-[(2R,5S)-4-[1-(4-chlorophenyl)carbonylpiperidin-4-yl]-5-ethyl-2-methyl-piperazin-1-yl]-6-methyl-pyrazine-2-carboxamide

Systemtic Name: 5-[(2R,5S)-4-[1-(4-chlorophenyl)carbonylpiperidin-4-yl]-5-ethyl-2-methyl-piperazin-1-yl]-6-methyl-pyrazine-2-carboxamide Openeye Name: 5-[(2R,5S)-4-[1-(4-chlorobenzoyl)-4-piperidyl]-5-ethyl-2-methyl-piperazin-1-yl]-6-methyl-pyrazine-2-carboxamide CAS Name: 5-[(2R,5S)-4-[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]-5-ethyl-2-methyl-1-piperazinyl]-6-methyl-2-pyrazinecarboxamide IUPAC Name: 5-[(2R,5S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-6-methylpyrazine-2-carboxamide Traditional Name: 5-[(2R,5S)-4-[1-(4-chlorobenzoyl)-4-piperidyl]-5-ethyl-2-methyl-piperazino]-6-methyl-pyrazinamide Formula: C25H33ClN6O2 MolecularWeight: 485.02152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C(CN1C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C)C4=NC=C(N=C4C)C(=O)N

Isomeric SMILES

CC[C@H]1CN([C@@H](CN1C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C)C4=NC=C(N=C4C)C(=O)N

InChI

InChI=1S/C25H33ClN6O2/c1-4-20-15-31(24-17(3)29-22(13-28-24)23(27)33)16(2)14-32(20)21-9-11-30(12-10-21)25(34)18-5-7-19(26)8-6-18/h5-8,13,16,20-21H,4,9-12,14-15H2,1-3H3,(H2,27,33)/t16-,20+/m1/s1