1-(cyclohexylmethyl)-3-(3,3-dimethylbut-1-ynyl)cinnolin-4-one

Systemtic Name: 1-(cyclohexylmethyl)-3-(3,3-dimethylbut-1-ynyl)cinnolin-4-one Openeye Name: 1-(cyclohexylmethyl)-3-(3,3-dimethylbut-1-ynyl)cinnolin-4-one CAS Name: 1-(cyclohexylmethyl)-3-(3,3-dimethylbut-1-ynyl)-4-cinnolinone IUPAC Name: 1-(cyclohexylmethyl)-3-(3,3-dimethylbut-1-ynyl)cinnolin-4-one Traditional Name: 1-(cyclohexylmethyl)-3-(3,3-dimethylbut-1-ynyl)cinnolin-4-one Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=NN(C2=CC=CC=C2C1=O)CC3CCCCC3

Isomeric SMILES

CC(C)(C)C#CC1=NN(C2=CC=CC=C2C1=O)CC3CCCCC3

InChI

InChI=1S/C21H26N2O/c1-21(2,3)14-13-18-20(24)17-11-7-8-12-19(17)23(22-18)15-16-9-5-4-6-10-16/h7-8,11-12,16H,4-6,9-10,15H2,1-3H3