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

Systemtic Name: 3-azanyl-5-[(2R,5S)-4-[1-(4-chlorophenyl)carbonylpiperidin-4-yl]-5-ethyl-2-methyl-piperazin-1-yl]-N-cyclopropyl-6-methyl-pyrazine-2-carboxamide Openeye Name: 3-amino-5-[(2R,5S)-4-[1-(4-chlorobenzoyl)-4-piperidyl]-5-ethyl-2-methyl-piperazin-1-yl]-N-cyclopropyl-6-methyl-pyrazine-2-carboxamide CAS Name: 3-amino-5-[(2R,5S)-4-[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]-5-ethyl-2-methyl-1-piperazinyl]-N-cyclopropyl-6-methyl-2-pyrazinecarboxamide IUPAC Name: 3-amino-5-[(2R,5S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N-cyclopropyl-6-methylpyrazine-2-carboxamide Traditional Name: 3-amino-5-[(2R,5S)-4-[1-(4-chlorobenzoyl)-4-piperidyl]-5-ethyl-2-methyl-piperazino]-N-cyclopropyl-6-methyl-pyrazinamide Formula: C28H38ClN7O2 MolecularWeight: 540.10002

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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)NC5CC5)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)NC5CC5)N

InChI

InChI=1S/C28H38ClN7O2/c1-4-22-16-35(26-18(3)31-24(25(30)33-26)27(37)32-21-9-10-21)17(2)15-36(22)23-11-13-34(14-12-23)28(38)19-5-7-20(29)8-6-19/h5-8,17,21-23H,4,9-16H2,1-3H3,(H2,30,33)(H,32,37)/t17-,22+/m1/s1