N-(5-chloranyl-2-methoxy-phenyl)-3-[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[(3S)-1-(3,6-dimethylpyrazin-2-yl)-3-piperidyl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(3,6-dimethyl-2-pyrazinyl)-3-piperidinyl]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[(3S)-1-(3,6-dimethylpyrazin-2-yl)-3-piperidyl]propionamide Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)N2CCCC(C2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC)C

Isomeric SMILES

CC1=CN=C(C(=N1)N2CCC[C@H](C2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC)C

InChI

InChI=1S/C21H27ClN4O2/c1-14-12-23-15(2)21(24-14)26-10-4-5-16(13-26)6-9-20(27)25-18-11-17(22)7-8-19(18)28-3/h7-8,11-12,16H,4-6,9-10,13H2,1-3H3,(H,25,27)/t16-/m0/s1