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

Systemtic Name: 5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]-N-cyclopropyl-6-methyl-pyrazine-2-carboxamide Openeye Name: 5-[(3S)-4-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-3-ethyl-piperazin-1-yl]-N-cyclopropyl-6-methyl-pyrazine-2-carboxamide CAS Name: 5-[(3S)-4-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3-ethyl-1-piperazinyl]-N-cyclopropyl-6-methyl-2-pyrazinecarboxamide IUPAC Name: 5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropyl-6-methylpyrazine-2-carboxamide Traditional Name: 5-[(3S)-4-[1-(4-chlorobenzyl)-4-piperidyl]-3-ethyl-piperazino]-N-cyclopropyl-6-methyl-pyrazinamide Formula: C27H37ClN6O MolecularWeight: 497.07528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37ClN6O/c1-3-23-18-33(26-19(2)30-25(16-29-26)27(35)31-22-8-9-22)14-15-34(23)24-10-12-32(13-11-24)17-20-4-6-21(28)7-5-20/h4-7,16,22-24H,3,8-15,17-18H2,1-2H3,(H,31,35)/t23-/m0/s1