[4-[[2-aminocarbonyl-5-(3-ethyl-6,6-dimethyl-4-oxidanylidene-5,7-dihydroindazol-1-yl)phenyl]amino]cyclohexyl] 3-azanylpropanoate

Systemtic Name: [4-[[2-aminocarbonyl-5-(3-ethyl-6,6-dimethyl-4-oxidanylidene-5,7-dihydroindazol-1-yl)phenyl]amino]cyclohexyl] 3-azanylpropanoate Openeye Name: [4-[2-carbamoyl-5-(3-ethyl-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]cyclohexyl] 3-aminopropanoate CAS Name: 3-aminopropanoic acid [4-[2-carbamoyl-5-(3-ethyl-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]cyclohexyl] ester IUPAC Name: [4-[2-carbamoyl-5-(3-ethyl-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]cyclohexyl] 3-aminopropanoate Traditional Name: 3-aminopropionic acid [4-[2-carbamoyl-5-(3-ethyl-4-keto-6,6-dimethyl-5,7-dihydroindazol-1-yl)anilino]cyclohexyl] ester Formula: C27H37N5O4 MolecularWeight: 495.61378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OC(=O)CCN

Isomeric SMILES

CCC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OC(=O)CCN

InChI

InChI=1S/C27H37N5O4/c1-4-20-25-22(14-27(2,3)15-23(25)33)32(31-20)17-7-10-19(26(29)35)21(13-17)30-16-5-8-18(9-6-16)36-24(34)11-12-28/h7,10,13,16,18,30H,4-6,8-9,11-12,14-15,28H2,1-3H3,(H2,29,35)