4-[[(5S)-9-pyrazin-2-ylcarbonyl-3,9-diazaspiro[4.5]decan-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(5S)-9-pyrazin-2-ylcarbonyl-3,9-diazaspiro[4.5]decan-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[(5S)-9-(pyrazine-2-carbonyl)-3,9-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile CAS Name: 4-[[(5S)-9-[oxo(2-pyrazinyl)methyl]-3,9-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile IUPAC Name: 4-[[(5S)-9-(pyrazine-2-carbonyl)-3,9-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile Traditional Name: 4-[[(5S)-9-pyrazinoyl-3,9-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCN(C2)CC3=CC=C(C=C3)C#N)CN(C1)C(=O)C4=NC=CN=C4

Isomeric SMILES

C1C[C@@]2(CCN(C2)CC3=CC=C(C=C3)C#N)CN(C1)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C21H23N5O/c22-12-17-2-4-18(5-3-17)14-25-11-7-21(15-25)6-1-10-26(16-21)20(27)19-13-23-8-9-24-19/h2-5,8-9,13H,1,6-7,10-11,14-16H2/t21-/m0/s1