4-[(2-propanoyl-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 4-[(2-propanoyl-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)carbonyl]benzenecarbonitrile Openeye Name: 4-(2-propanoyl-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl)benzonitrile CAS Name: 4-[oxo-[2-(1-oxopropyl)-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methyl]benzonitrile IUPAC Name: 4-(2-propanoyl-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl)benzonitrile Traditional Name: 4-(2-propionyl-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl)benzonitrile Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC2(CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)N=C1

Isomeric SMILES

CCC(=O)N1CC2(CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)N=C1

InChI

InChI=1S/C18H20N4O2/c1-2-16(23)22-12-18(20-13-22)7-9-21(10-8-18)17(24)15-5-3-14(11-19)4-6-15/h3-6,13H,2,7-10,12H2,1H3