N-cyclopropyl-5-[(3S)-3-ethyl-4-[1-[(3-fluoranyl-4-methyl-phenyl)methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-pyrazine-2-carboxamide

Systemtic Name: N-cyclopropyl-5-[(3S)-3-ethyl-4-[1-[(3-fluoranyl-4-methyl-phenyl)methyl]piperidin-4-yl]piperazin-1-yl]-6-methyl-pyrazine-2-carboxamide Openeye Name: N-cyclopropyl-5-[(3S)-3-ethyl-4-[1-[(3-fluoro-4-methyl-phenyl)methyl]-4-piperidyl]piperazin-1-yl]-6-methyl-pyrazine-2-carboxamide CAS Name: N-cyclopropyl-5-[(3S)-3-ethyl-4-[1-[(3-fluoro-4-methylphenyl)methyl]-4-piperidinyl]-1-piperazinyl]-6-methyl-2-pyrazinecarboxamide IUPAC Name: N-cyclopropyl-5-[(3S)-3-ethyl-4-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-6-methylpyrazine-2-carboxamide Traditional Name: N-cyclopropyl-5-[(3S)-3-ethyl-4-[1-(3-fluoro-4-methyl-benzyl)-4-piperidyl]piperazino]-6-methyl-pyrazinamide Formula: C28H39FN6O MolecularWeight: 494.647263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C2CCN(CC2)CC3=CC(=C(C=C3)C)F)C4=NC=C(N=C4C)C(=O)NC5CC5

Isomeric SMILES

CC[C@H]1CN(CCN1C2CCN(CC2)CC3=CC(=C(C=C3)C)F)C4=NC=C(N=C4C)C(=O)NC5CC5

InChI

InChI=1S/C28H39FN6O/c1-4-23-18-34(27-20(3)31-26(16-30-27)28(36)32-22-7-8-22)13-14-35(23)24-9-11-33(12-10-24)17-21-6-5-19(2)25(29)15-21/h5-6,15-16,22-24H,4,7-14,17-18H2,1-3H3,(H,32,36)/t23-/m0/s1